4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine

C46H100F5N5 — CID 159881181

IUPAC4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine
SMILESCC.CC.CC.CC.CN1CCC(C(C)(C)C)C(F)C1.C[C@@H]1CCN(C)C[C@@H]1F.C[C@@H]1CCN(C)C[C@H]1F.C[C@H]1CCN(C)C[C@@H]1F.C[C@H]1CCN(C)C[C@H]1F
InChIInChI=1S/C10H20FN.4C7H14FN.4C2H6/c1-10(2,3)8-5-6-12(4)7-9(8)11;4*1-6-3-4-9(2)5-7(6)8;4*1-2/h8-9H,5-7H2,1-4H3;4*6-7H,3-5H2,1-2H3;4*1-2H3/t;2*6-,7+;2*6-,7-;;;;/m.1010..../s1
InChIKeyNTNSGAACVZPVEK-VJOIMHTMSA-N
MW818.33 g/mol
LogP11.61
Rot. Bonds

About 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine

4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine (PubChem CID 159881181) has the molecular formula C46H100F5N5 and a molecular weight of 818.33 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine
PubChem CID159881181
Molecular FormulaC46H100F5N5
Molecular Weight818.33 g/mol
Exact Mass817.79
IUPAC Name4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine
SMILESCC.CC.CC.CC.CN1CCC(C(C)(C)C)C(F)C1.C[C@@H]1CCN(C)C[C@@H]1F.C[C@@H]1CCN(C)C[C@H]1F.C[C@H]1CCN(C)C[C@@H]1F.C[C@H]1CCN(C)C[C@H]1F
InChIInChI=1S/C10H20FN.4C7H14FN.4C2H6/c1-10(2,3)8-5-6-12(4)7-9(8)11;4*1-6-3-4-9(2)5-7(6)8;4*1-2/h8-9H,5-7H2,1-4H3;4*6-7H,3-5H2,1-2H3;4*1-2H3/t;2*6-,7+;2*6-,7-;;;;/m.1010..../s1
InChIKeyNTNSGAACVZPVEK-VJOIMHTMSA-N
XLogP11.61
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.33
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine 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

(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane
CID 158444693
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 159741560
1-Tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;bis(1-tert-butylpiperidine);1-tert-butyl-4-(trifluoromethyl)piperidine
CID 160082129
(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;ethane
CID 160263181
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;bis(1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine);4-propan-2-yl-1-propylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 160337939
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine
CID 165014394
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);ethane;2-fluoro-1,4-di(propan-2-yl)piperidine
CID 167660912
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine)
CID 168410856
3-Methyl-1-[4-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-1-azoniabicyclo[2.2.2]octane
CID 3063245
3-Methyl-1-[5-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-1-azoniabicyclo[2.2.2]octane
CID 3063455
1-(3-Methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
CID 157260003
1-Tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2,2-dimethylpropyl)piperazine;bis(1-tert-butyl-4-(piperidin-1-ylmethyl)piperidine);ethane
CID 157362860

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine?
The IUPAC name of 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine (CID 159881181) is 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine.
What is the SMILES notation for 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine?
The canonical SMILES for 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine is CC.CC.CC.CC.CN1CCC(C(C)(C)C)C(F)C1.C[C@@H]1CCN(C)C[C@@H]1F.C[C@@H]1CCN(C)C[C@H]1F.C[C@H]1CCN(C)C[C@@H]1F.C[C@H]1CCN(C)C[C@H]1F.
What is the InChIKey of 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine?
The InChIKey is NTNSGAACVZPVEK-VJOIMHTMSA-N. The full InChI is InChI=1S/C10H20FN.4C7H14FN.4C2H6/c1-10(2,3)8-5-6-12(4)7-9(8)11;4*1-6-3-4-9(2)5-7(6)8;4*1-2/h8-9H,5-7H2,1-4H3;4*6-7H,3-5H2,1-2H3;4*1-2H3/t;2*6-,7+;2*6-,7-;;;;/m.1010..../s1.
What are the key properties of 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine?
4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine has a molecular weight of 818.33 g/mol, XLogP of 11.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine is sourced from PubChem (CID 159881181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).