(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride

C24H26ClNO — CID 67542732

IUPAC(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
SMILESCl.c1ccc(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO.ClH/c1-3-8-19(9-4-1)18-26-24-17-25-15-14-23(24)22-13-7-12-21(16-22)20-10-5-2-6-11-20;/h1-13,16,23-25H,14-15,17-18H2;1H/t23-,24+;/m1./s1
InChIKeyQANFGLCDRZXRKL-ITNPDYSASA-N
MW379.93 g/mol
LogP5.44
Rot. Bonds5

About (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride

(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride (PubChem CID 67542732) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
PubChem CID67542732
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC Name(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
SMILESCl.c1ccc(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO.ClH/c1-3-8-19(9-4-1)18-26-24-17-25-15-14-23(24)22-13-7-12-21(16-22)20-10-5-2-6-11-20;/h1-13,16,23-25H,14-15,17-18H2;1H/t23-,24+;/m1./s1
InChIKeyQANFGLCDRZXRKL-ITNPDYSASA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
CID 67543801
3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67544762
3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67545240
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
CID 59382334
(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine
CID 59674730
N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 67542525
3-[(4-methoxyphenyl)methoxy]-4-phenylpiperidine
CID 22127654
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
(3R,4R)-3-[[2-(3-methoxypropyl)phenyl]methoxy]-4-(3-phenylphenyl)piperidine;2,2,2-trifluoroacetic acid
CID 67542836
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride?
The IUPAC name of (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride (CID 67542732) is (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride?
The canonical SMILES for (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride is Cl.c1ccc(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride?
The InChIKey is QANFGLCDRZXRKL-ITNPDYSASA-N. The full InChI is InChI=1S/C24H25NO.ClH/c1-3-8-19(9-4-1)18-26-24-17-25-15-14-23(24)22-13-7-12-21(16-22)20-10-5-2-6-11-20;/h1-13,16,23-25H,14-15,17-18H2;1H/t23-,24+;/m1./s1.
What are the key properties of (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride?
(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 67542732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).