(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride

C30H30ClNO — CID 67543801

IUPAC(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
SMILESCl.c1ccc(-c2ccc(CO[C@H]3CNCC[C@@H]3c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H29NO.ClH/c1-3-8-24(9-4-1)26-16-14-23(15-17-26)22-32-30-21-31-19-18-29(30)28-13-7-12-27(20-28)25-10-5-2-6-11-25;/h1-17,20,29-31H,18-19,21-22H2;1H/t29-,30+;/m1./s1
InChIKeyFWDDRKNGUPHORL-GNSKLVJZSA-N
MW456.03 g/mol
LogP7.10
Rot. Bonds6

About (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride

(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride (PubChem CID 67543801) has the molecular formula C30H30ClNO and a molecular weight of 456.03 g/mol. Its IUPAC name is (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
PubChem CID67543801
Molecular FormulaC30H30ClNO
Molecular Weight456.03 g/mol
Exact Mass455.20
IUPAC Name(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
SMILESCl.c1ccc(-c2ccc(CO[C@H]3CNCC[C@@H]3c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H29NO.ClH/c1-3-8-24(9-4-1)26-16-14-23(15-17-26)22-32-30-21-31-19-18-29(30)28-13-7-12-27(20-28)25-10-5-2-6-11-25;/h1-17,20,29-31H,18-19,21-22H2;1H/t29-,30+;/m1./s1
InChIKeyFWDDRKNGUPHORL-GNSKLVJZSA-N
XLogP7.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.03
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67542732
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)-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
(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
CID 59382334
3-[(4-methoxyphenyl)methoxy]-4-phenylpiperidine
CID 22127654
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568
(3R,4R)-3-[[2-(3-methoxypropyl)phenyl]methoxy]-4-(3-phenylphenyl)piperidine;2,2,2-trifluoroacetic acid
CID 67542836

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride?
The IUPAC name of (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride (CID 67543801) is (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride?
The canonical SMILES for (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride is Cl.c1ccc(-c2ccc(CO[C@H]3CNCC[C@@H]3c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride?
The InChIKey is FWDDRKNGUPHORL-GNSKLVJZSA-N. The full InChI is InChI=1S/C30H29NO.ClH/c1-3-8-24(9-4-1)26-16-14-23(15-17-26)22-32-30-21-31-19-18-29(30)28-13-7-12-27(20-28)25-10-5-2-6-11-25;/h1-17,20,29-31H,18-19,21-22H2;1H/t29-,30+;/m1./s1.
What are the key properties of (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride?
(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride has a molecular weight of 456.03 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride is sourced from PubChem (CID 67543801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).