(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine

C19H30N2 — CID 7047234

IUPAC(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
SMILESC[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2/c1-17-6-5-12-21(16-17)19-10-14-20(15-11-19)13-9-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3/t17-/m0/s1
InChIKeyGALMFCIMTCNSMV-KRWDZBQOSA-N
MW286.46 g/mol
LogP3.43
Rot. Bonds4

About (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine

(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine (PubChem CID 7047234) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
PubChem CID7047234
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
SMILESC[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2/c1-17-6-5-12-21(16-17)19-10-14-20(15-11-19)13-9-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3/t17-/m0/s1
InChIKeyGALMFCIMTCNSMV-KRWDZBQOSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851
methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95402897
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
CID 2910705
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine (CID 7047234) is (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine is C[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine?
The InChIKey is GALMFCIMTCNSMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2/c1-17-6-5-12-21(16-17)19-10-14-20(15-11-19)13-9-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine?
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine has a molecular weight of 286.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine is sourced from PubChem (CID 7047234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).