(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine

C15H29FN2 — CID 91191509

IUPAC(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCNC[C@H](CC1CCC(F)CC1)N1CCCCC1
InChIInChI=1S/C15H29FN2/c1-17-12-15(18-9-3-2-4-10-18)11-13-5-7-14(16)8-6-13/h13-15,17H,2-12H2,1H3/t13?,14?,15-/m0/s1
InChIKeyYCVPEPJVBQVIIO-NRXISQOPSA-N
MW256.41 g/mol
LogP2.98
Rot. Bonds5

About (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine

(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 91191509) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID91191509
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCNC[C@H](CC1CCC(F)CC1)N1CCCCC1
InChIInChI=1S/C15H29FN2/c1-17-12-15(18-9-3-2-4-10-18)11-13-5-7-14(16)8-6-13/h13-15,17H,2-12H2,1H3/t13?,14?,15-/m0/s1
InChIKeyYCVPEPJVBQVIIO-NRXISQOPSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine (CID 91191509) is (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine is CNC[C@H](CC1CCC(F)CC1)N1CCCCC1.
What is the InChIKey of (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is YCVPEPJVBQVIIO-NRXISQOPSA-N. The full InChI is InChI=1S/C15H29FN2/c1-17-12-15(18-9-3-2-4-10-18)11-13-5-7-14(16)8-6-13/h13-15,17H,2-12H2,1H3/t13?,14?,15-/m0/s1.
What are the key properties of (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 256.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 91191509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).