(3R,4S)-N-methyl-3-phenylpiperidin-4-amine

C12H18N2 — CID 91006555

IUPAC(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
SMILESCN[C@H]1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C12H18N2/c1-13-12-7-8-14-9-11(12)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyXVBSCHMBRDMCKA-RYUDHWBXSA-N
MW190.29 g/mol
LogP1.35
Rot. Bonds2

About (3R,4S)-N-methyl-3-phenylpiperidin-4-amine

(3R,4S)-N-methyl-3-phenylpiperidin-4-amine (PubChem CID 91006555) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3R,4S)-N-methyl-3-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
PubChem CID91006555
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
SMILESCN[C@H]1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C12H18N2/c1-13-12-7-8-14-9-11(12)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyXVBSCHMBRDMCKA-RYUDHWBXSA-N
XLogP1.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
2-phenyl-N-(3-phenylpiperidin-4-yl)propanamide
CID 11500528
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
4-ethyl-3-phenylpiperidine
CID 175022073
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
2-phenoxy-N-(3-phenylpiperidin-4-yl)propanamide
CID 69335454
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
3-ethyl-4-phenylpiperidine
CID 56828112
3-methyl-2-phenyl-N-(3-phenylpiperidin-4-yl)pentanamide
CID 91573453
ethane;3-phenylpyrrolidine
CID 91032726
4-(2,3-dimethylphenyl)-3-phenylpiperidine
CID 79309119

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-methyl-3-phenylpiperidin-4-amine?
The IUPAC name of (3R,4S)-N-methyl-3-phenylpiperidin-4-amine (CID 91006555) is (3R,4S)-N-methyl-3-phenylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-N-methyl-3-phenylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-N-methyl-3-phenylpiperidin-4-amine is CN[C@H]1CCNC[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-N-methyl-3-phenylpiperidin-4-amine?
The InChIKey is XVBSCHMBRDMCKA-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-12-7-8-14-9-11(12)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-N-methyl-3-phenylpiperidin-4-amine?
(3R,4S)-N-methyl-3-phenylpiperidin-4-amine has a molecular weight of 190.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-methyl-3-phenylpiperidin-4-amine is sourced from PubChem (CID 91006555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).