cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine

C16H31FN2 — CID 66603187

IUPACcis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
SMILESCC1(F)CCN([C@H]2CCC[C@@H](NC(C)(C)C)C2)CC1
InChIInChI=1S/C16H31FN2/c1-15(2,3)18-13-6-5-7-14(12-13)19-10-8-16(4,17)9-11-19/h13-14,18H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyQMWIEGVKHYRYCS-KGLIPLIRSA-N
MW270.44 g/mol
LogP3.51
Rot. Bonds2

About cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine

cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine (PubChem CID 66603187) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
PubChem CID66603187
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Namecis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
SMILESCC1(F)CCN([C@H]2CCC[C@@H](NC(C)(C)C)C2)CC1
InChIInChI=1S/C16H31FN2/c1-15(2,3)18-13-6-5-7-14(12-13)19-10-8-16(4,17)9-11-19/h13-14,18H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyQMWIEGVKHYRYCS-KGLIPLIRSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 66603092
cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
CID 66602932
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
CID 79619057
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 70920710
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 79619155
1-cyclobutyl-N,4-dimethylpiperidin-4-amine
CID 115304164
1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
CID 144886153
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
3-(4-methoxypiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 79631436
3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
CID 58236041

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine (CID 66603187) is cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine is CC1(F)CCN([C@H]2CCC[C@@H](NC(C)(C)C)C2)CC1.
What is the InChIKey of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine?
The InChIKey is QMWIEGVKHYRYCS-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H31FN2/c1-15(2,3)18-13-6-5-7-14(12-13)19-10-8-16(4,17)9-11-19/h13-14,18H,5-12H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine?
cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 66603187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).