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

C66H104Cl2F4N12O13S4 — CID 159982159

About 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

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 (PubChem CID 159982159) has the molecular formula C66H104Cl2F4N12O13S4 and a molecular weight of 1548.79 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159982159
• Molecular Formula: C66H104Cl2F4N12O13S4
• Molecular Weight: 1548.79 g/mol
• Exact Mass: 1546.60
• IUPAC Name: 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
• SMILES: C.CC(C)(C)OC(=O)N1CCCC(CN)C1.CC(C)(C)OC(=O)N1CCCC(CNS(=O)(=O)C2CC2)C1.Cc1ccc2ncnc(Cl)c2c1.O=CC(F)(F)F.O=S(=O)(Cl)C1CC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1.O=S(=O)(NCC1CCCNC1)C1CC1
• InChI: InChI=1S/C17H21FN4O2S.C14H26N2O4S.C11H22N2O2.C9H7ClN2.C9H18N2O2S.C3H5ClO2S.C2HF3O.CH4/c18-13-3-6-16-15(8-13)17(20-11-19-16)22-7-1-2-12(10-22)9-21-25(23,24)14-4-5-14;1-14(2,3)20-13(17)16-8-4-5-11(10-16)9-15-21(18,19)12-6-7-12;1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13;1-6-2-3-8-7(4-6)9(10)12-5-11-8;12-14(13,9-3-4-9)11-7-8-2-1-5-10-6-8;4-7(5,6)3-1-2-3;3-2(4,5)1-6;/h3,6,8,11-12,14,21H,1-2,4-5,7,9-10H2;11-12,15H,4-10H2,1-3H3;9H,4-8,12H2,1-3H3;2-5H,1H3;8-11H,1-7H2;3H,1-2H2;1H;1H4
• InChIKey: OFXGUOFEQLTAFP-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 341.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.79
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CC(C)(C)OC(=O)N1CCCC(CN)C1.CC(C)(C)OC(=O)N1CCCC(CNS(=O)(=O)C2CC2)C1.Cc1ccc2ncnc(Cl)c2c1.O=CC(F)(F)F.O=S(=O)(Cl)C1CC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1.O=S(=O)(NCC1CCCNC1)C1CC1.

What is the InChIKey of 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?

The InChIKey is OFXGUOFEQLTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S.C14H26N2O4S.C11H22N2O2.C9H7ClN2.C9H18N2O2S.C3H5ClO2S.C2HF3O.CH4/c18-13-3-6-16-15(8-13)17(20-11-19-16)22-7-1-2-12(10-22)9-21-25(23,24)14-4-5-14;1-14(2,3)20-13(17)16-8-4-5-11(10-16)9-15-21(18,19)12-6-7-12;1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13;1-6-2-3-8-7(4-6)9(10)12-5-11-8;12-14(13,9-3-4-9)11-7-8-2-1-5-10-6-8;4-7(5,6)3-1-2-3;3-2(4,5)1-6;/h3,6,8,11-12,14,21H,1-2,4-5,7,9-10H2;11-12,15H,4-10H2,1-3H3;9H,4-8,12H2,1-3H3;2-5H,1H3;8-11H,1-7H2;3H,1-2H2;1H;1H4.

What are the key properties of 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?

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 has a molecular weight of 1548.79 g/mol, XLogP of 10.14, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159982159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).