1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine

C29H33NO — CID 58772022

IUPAC1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(C2CC(c3ccccc3)C(c3ccccc3)C2)CC1
InChIInChI=1S/C29H33NO/c1-31-29-15-9-8-14-26(29)24-16-18-30(19-17-24)25-20-27(22-10-4-2-5-11-22)28(21-25)23-12-6-3-7-13-23/h2-15,24-25,27-28H,16-21H2,1H3
InChIKeyISUNHLCQWSVJCH-UHFFFAOYSA-N
MW411.59 g/mol
LogP6.60
Rot. Bonds5

About 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine

1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine (PubChem CID 58772022) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine
PubChem CID58772022
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(C2CC(c3ccccc3)C(c3ccccc3)C2)CC1
InChIInChI=1S/C29H33NO/c1-31-29-15-9-8-14-26(29)24-16-18-30(19-17-24)25-20-27(22-10-4-2-5-11-22)28(21-25)23-12-6-3-7-13-23/h2-15,24-25,27-28H,16-21H2,1H3
InChIKeyISUNHLCQWSVJCH-UHFFFAOYSA-N
XLogP6.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine (CID 58772022) is 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine is COc1ccccc1C1CCN(C2CC(c3ccccc3)C(c3ccccc3)C2)CC1.
What is the InChIKey of 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine?
The InChIKey is ISUNHLCQWSVJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-31-29-15-9-8-14-26(29)24-16-18-30(19-17-24)25-20-27(22-10-4-2-5-11-22)28(21-25)23-12-6-3-7-13-23/h2-15,24-25,27-28H,16-21H2,1H3.
What are the key properties of 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine?
1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine has a molecular weight of 411.59 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 58772022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).