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

C16H32N2O — CID 90943292

IUPAC(2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCNC[C@H](CC1CCC(OC)CC1)N1CCCCC1
InChIInChI=1S/C16H32N2O/c1-17-13-15(18-10-4-3-5-11-18)12-14-6-8-16(19-2)9-7-14/h14-17H,3-13H2,1-2H3/t14?,15-,16?/m0/s1
InChIKeyRQWLISLSDYFNAI-PCKAHOCUSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

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

(2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 90943292) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID90943292
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCNC[C@H](CC1CCC(OC)CC1)N1CCCCC1
InChIInChI=1S/C16H32N2O/c1-17-13-15(18-10-4-3-5-11-18)12-14-6-8-16(19-2)9-7-14/h14-17H,3-13H2,1-2H3/t14?,15-,16?/m0/s1
InChIKeyRQWLISLSDYFNAI-PCKAHOCUSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine (CID 90943292) is (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine is CNC[C@H](CC1CCC(OC)CC1)N1CCCCC1.
What is the InChIKey of (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is RQWLISLSDYFNAI-PCKAHOCUSA-N. The full InChI is InChI=1S/C16H32N2O/c1-17-13-15(18-10-4-3-5-11-18)12-14-6-8-16(19-2)9-7-14/h14-17H,3-13H2,1-2H3/t14?,15-,16?/m0/s1.
What are the key properties of (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
(2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methoxycyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 90943292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).