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

C17H33FN2 — CID 66603092

IUPACcis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCN([C@@H]1CCC[C@H](N2CCC(C)(F)CC2)C1)C(C)(C)C
InChIInChI=1S/C17H33FN2/c1-16(2,3)19(5)14-7-6-8-15(13-14)20-11-9-17(4,18)10-12-20/h14-15H,6-13H2,1-5H3/t14-,15+/m1/s1
InChIKeyZVFHBTIRVIGRSP-CABCVRRESA-N
MW284.46 g/mol
LogP3.85
Rot. Bonds2

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

cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 66603092) has the molecular formula C17H33FN2 and a molecular weight of 284.46 g/mol. Its IUPAC name is cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine
PubChem CID66603092
Molecular FormulaC17H33FN2
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Namecis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCN([C@@H]1CCC[C@H](N2CCC(C)(F)CC2)C1)C(C)(C)C
InChIInChI=1S/C17H33FN2/c1-16(2,3)19(5)14-7-6-8-15(13-14)20-11-9-17(4,18)10-12-20/h14-15H,6-13H2,1-5H3/t14-,15+/m1/s1
InChIKeyZVFHBTIRVIGRSP-CABCVRRESA-N
XLogP3.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine (CID 66603092) is cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine is CN([C@@H]1CCC[C@H](N2CCC(C)(F)CC2)C1)C(C)(C)C.
What is the InChIKey of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is ZVFHBTIRVIGRSP-CABCVRRESA-N. The full InChI is InChI=1S/C17H33FN2/c1-16(2,3)19(5)14-7-6-8-15(13-14)20-11-9-17(4,18)10-12-20/h14-15H,6-13H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine?
cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 284.46 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 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)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 66603092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).