(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine

C30H37NO2 — CID 59382334

IUPAC(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
SMILESCOCCCCc1cc(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)ccc1C
InChIInChI=1S/C30H37NO2/c1-23-14-15-24(19-26(23)11-6-7-18-32-2)22-33-30-21-31-17-16-29(30)28-13-8-12-27(20-28)25-9-4-3-5-10-25/h3-5,8-10,12-15,19-20,29-31H,6-7,11,16-18,21-22H2,1-2H3/t29-,30+/m1/s1
InChIKeyCEEILYSZXPNHTL-IHLOFXLRSA-N
MW443.63 g/mol
LogP6.29
Rot. Bonds10

About (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine

(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine (PubChem CID 59382334) has the molecular formula C30H37NO2 and a molecular weight of 443.63 g/mol. Its IUPAC name is (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine.

Molecular Properties

Compound Name(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
PubChem CID59382334
Molecular FormulaC30H37NO2
Molecular Weight443.63 g/mol
Exact Mass443.28
IUPAC Name(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
SMILESCOCCCCc1cc(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)ccc1C
InChIInChI=1S/C30H37NO2/c1-23-14-15-24(19-26(23)11-6-7-18-32-2)22-33-30-21-31-17-16-29(30)28-13-8-12-27(20-28)25-9-4-3-5-10-25/h3-5,8-10,12-15,19-20,29-31H,6-7,11,16-18,21-22H2,1-2H3/t29-,30+/m1/s1
InChIKeyCEEILYSZXPNHTL-IHLOFXLRSA-N
XLogP6.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
CID 67543801
(3R,4R)-3-[[2-(3-methoxypropyl)phenyl]methoxy]-4-(3-phenylphenyl)piperidine;2,2,2-trifluoroacetic acid
CID 67542836
(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67542732
3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67544762
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
(3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine
CID 59382371
3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67545240
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
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
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine?
The IUPAC name of (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine (CID 59382334) is (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine.
What is the SMILES notation for (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine?
The canonical SMILES for (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine is COCCCCc1cc(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)ccc1C.
What is the InChIKey of (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine?
The InChIKey is CEEILYSZXPNHTL-IHLOFXLRSA-N. The full InChI is InChI=1S/C30H37NO2/c1-23-14-15-24(19-26(23)11-6-7-18-32-2)22-33-30-21-31-17-16-29(30)28-13-8-12-27(20-28)25-9-4-3-5-10-25/h3-5,8-10,12-15,19-20,29-31H,6-7,11,16-18,21-22H2,1-2H3/t29-,30+/m1/s1.
What are the key properties of (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine?
(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine has a molecular weight of 443.63 g/mol, XLogP of 6.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine is sourced from PubChem (CID 59382334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).