tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide

C55H79ClF6N14O10S3 — CID 163918283

IUPACtert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCC(C)(C)OC(=O)N1CCCC(F)(CN)C1.CC(C)(C)OC(=O)N1CCCC(F)(CNS(C)(=O)=O)C1.CS(=O)(=O)NCC1(F)CCCN(c2ncnc3cc(F)c(C#N)cc23)C1.CS(=O)(=O)NCC1(F)CCCNC1.N#Cc1cc2c(Cl)ncnc2cc1F
InChIInChI=1S/C16H17F2N5O2S.C12H23FN2O4S.C11H21FN2O2.C9H3ClFN3.C7H15FN2O2S/c1-26(24,25)22-8-16(18)3-2-4-23(9-16)15-12-5-11(7-19)13(17)6-14(12)20-10-21-15;1-11(2,3)19-10(16)15-7-5-6-12(13,9-15)8-14-20(4,17)18;1-10(2,3)16-9(15)14-6-4-5-11(12,7-13)8-14;10-9-6-1-5(3-12)7(11)2-8(6)13-4-14-9;1-13(11,12)10-6-7(8)3-2-4-9-5-7/h5-6,10,22H,2-4,8-9H2,1H3;14H,5-9H2,1-4H3;4-8,13H2,1-3H3;1-2,4H;9-10H,2-6H2,1H3
InChIKeyQYEUBYODAGIEJO-UHFFFAOYSA-N
MW1341.97 g/mol
LogP6.38
Rot. Bonds11

About tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide

tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 163918283) has the molecular formula C55H79ClF6N14O10S3 and a molecular weight of 1341.97 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide
PubChem CID163918283
Molecular FormulaC55H79ClF6N14O10S3
Molecular Weight1341.97 g/mol
Exact Mass1340.49
IUPAC Nametert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide
SMILESCC(C)(C)OC(=O)N1CCCC(F)(CN)C1.CC(C)(C)OC(=O)N1CCCC(F)(CNS(C)(=O)=O)C1.CS(=O)(=O)NCC1(F)CCCN(c2ncnc3cc(F)c(C#N)cc23)C1.CS(=O)(=O)NCC1(F)CCCNC1.N#Cc1cc2c(Cl)ncnc2cc1F
InChIInChI=1S/C16H17F2N5O2S.C12H23FN2O4S.C11H21FN2O2.C9H3ClFN3.C7H15FN2O2S/c1-26(24,25)22-8-16(18)3-2-4-23(9-16)15-12-5-11(7-19)13(17)6-14(12)20-10-21-15;1-11(2,3)19-10(16)15-7-5-6-12(13,9-15)8-14-20(4,17)18;1-10(2,3)16-9(15)14-6-4-5-11(12,7-13)8-14;10-9-6-1-5(3-12)7(11)2-8(6)13-4-14-9;1-13(11,12)10-6-7(8)3-2-4-9-5-7/h5-6,10,22H,2-4,8-9H2,1H3;14H,5-9H2,1-4H3;4-8,13H2,1-3H3;1-2,4H;9-10H,2-6H2,1H3
InChIKeyQYEUBYODAGIEJO-UHFFFAOYSA-N
XLogP6.38
TPSA338.02 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.97
LogP ≤ 56.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoro-6-isocyanoquinazoline;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetaldehyde
CID 158247464
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-methylquinazoline;cyclopropanesulfonyl chloride;methane;N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide;2,2,2-trifluoroacetaldehyde
CID 158696399
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-methylquinazoline;cyclopropanesulfonyl chloride;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;methane;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide;2,2,2-trifluoroacetaldehyde
CID 159982159
7-bromo-4-chloro-6-fluoroquinazoline;N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(trifluoromethylsulfonylamino)methyl]piperidine-1-carboxylate;1,1,1-trifluoro-N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;bis(1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide);hydrochloride
CID 160272597
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclohexylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-(trifluoromethyl)quinazoline;cyclohexyl thiohypochlorite;N-(piperidin-3-ylmethyl)cyclohexanesulfonamide;N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]cyclohexanesulfonamide;dihydrate;hydrochloride
CID 163414173
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(cyclopropylsulfonylamino)methyl]piperidine-1-carboxylate;4-chloro-6-(trifluoromethyl)quinazoline;cyclopropanesulfonyl chloride;N-(piperidin-3-ylmethyl)cyclopropanesulfonamide;N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 163508795
N-[[1-[1-oxido-6-(trifluoromethyl)quinazolin-1-ium-4-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-oxo-6-(trifluoromethyl)-1H-quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 163547360
benzenesulfonyl chloride;tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-(benzenesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-6-(trifluoromethyl)quinazoline;dichloromethane;N,N-diethylethanamine;N-(piperidin-3-ylmethyl)benzenesulfonamide;N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 163719769
tert-butyl N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]carbamate;4-chlorobenzenesulfonyl chloride;4-chloro-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide;[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methanamine;hydrochloride
CID 163919675
7-bromo-4-chloro-6-fluoroquinazoline;tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 3-[(trifluoromethylsulfonylamino)methyl]piperidine-1-carboxylate;N-[[1-(7-cyano-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;bis(1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide)
CID 163938323
tert-butyl N-[1-[6-[5-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-8-fluoro-2-methylquinolin-4-yl]ethyl]carbamate
CID 164570340
N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane
CID 165097146

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide (CID 163918283) is tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide is CC(C)(C)OC(=O)N1CCCC(F)(CN)C1.CC(C)(C)OC(=O)N1CCCC(F)(CNS(C)(=O)=O)C1.CS(=O)(=O)NCC1(F)CCCN(c2ncnc3cc(F)c(C#N)cc23)C1.CS(=O)(=O)NCC1(F)CCCNC1.N#Cc1cc2c(Cl)ncnc2cc1F.
What is the InChIKey of tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is QYEUBYODAGIEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O2S.C12H23FN2O4S.C11H21FN2O2.C9H3ClFN3.C7H15FN2O2S/c1-26(24,25)22-8-16(18)3-2-4-23(9-16)15-12-5-11(7-19)13(17)6-14(12)20-10-21-15;1-11(2,3)19-10(16)15-7-5-6-12(13,9-15)8-14-20(4,17)18;1-10(2,3)16-9(15)14-6-4-5-11(12,7-13)8-14;10-9-6-1-5(3-12)7(11)2-8(6)13-4-14-9;1-13(11,12)10-6-7(8)3-2-4-9-5-7/h5-6,10,22H,2-4,8-9H2,1H3;14H,5-9H2,1-4H3;4-8,13H2,1-3H3;1-2,4H;9-10H,2-6H2,1H3.
What are the key properties of tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide?
tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 1341.97 g/mol, XLogP of 6.38, 11 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate;tert-butyl 3-fluoro-3-(methanesulfonamidomethyl)piperidine-1-carboxylate;4-chloro-7-fluoroquinazoline-6-carbonitrile;N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)-3-fluoropiperidin-3-yl]methyl]methanesulfonamide;N-[(3-fluoropiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 163918283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).