(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine

C21H27NO — CID 54564163

IUPAC(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
SMILESCOc1cccc([C@@H]2CCCN(CCCc3ccccc3)C2)c1
InChIInChI=1S/C21H27NO/c1-23-21-13-5-11-19(16-21)20-12-7-15-22(17-20)14-6-10-18-8-3-2-4-9-18/h2-5,8-9,11,13,16,20H,6-7,10,12,14-15,17H2,1H3/t20-/m1/s1
InChIKeyZSQODCGBWPKYAR-HXUWFJFHSA-N
MW309.45 g/mol
LogP4.51
Rot. Bonds6

About (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine

(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine (PubChem CID 54564163) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
PubChem CID54564163
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
SMILESCOc1cccc([C@@H]2CCCN(CCCc3ccccc3)C2)c1
InChIInChI=1S/C21H27NO/c1-23-21-13-5-11-19(16-21)20-12-7-15-22(17-20)14-6-10-18-8-3-2-4-9-18/h2-5,8-9,11,13,16,20H,6-7,10,12,14-15,17H2,1H3/t20-/m1/s1
InChIKeyZSQODCGBWPKYAR-HXUWFJFHSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080
3-[(3R)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-3-yl]benzoic acid
CID 97187424
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
3-(3-methoxyphenyl)-N-methylpiperidin-1-amine
CID 139493045
(2R)-4-[3-(3-methoxyphenyl)piperidin-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 24994617
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
2-[3-[1-[3-(2,4-dimethylphenyl)propyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 168867859

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine?
The IUPAC name of (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine (CID 54564163) is (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine is COc1cccc([C@@H]2CCCN(CCCc3ccccc3)C2)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine?
The InChIKey is ZSQODCGBWPKYAR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO/c1-23-21-13-5-11-19(16-21)20-12-7-15-22(17-20)14-6-10-18-8-3-2-4-9-18/h2-5,8-9,11,13,16,20H,6-7,10,12,14-15,17H2,1H3/t20-/m1/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine?
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine has a molecular weight of 309.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 54564163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).