1-benzyl-4-(2-propylphenyl)piperidine

C21H27N — CID 143140323

IUPAC1-benzyl-4-(2-propylphenyl)piperidine
SMILESCCCc1ccccc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N/c1-2-8-19-11-6-7-12-21(19)20-13-15-22(16-14-20)17-18-9-4-3-5-10-18/h3-7,9-12,20H,2,8,13-17H2,1H3
InChIKeyBVRLPKJNWKGPFO-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.02
Rot. Bonds5

About 1-benzyl-4-(2-propylphenyl)piperidine

1-benzyl-4-(2-propylphenyl)piperidine (PubChem CID 143140323) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-benzyl-4-(2-propylphenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(2-propylphenyl)piperidine
PubChem CID143140323
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-benzyl-4-(2-propylphenyl)piperidine
SMILESCCCc1ccccc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N/c1-2-8-19-11-6-7-12-21(19)20-13-15-22(16-14-20)17-18-9-4-3-5-10-18/h3-7,9-12,20H,2,8,13-17H2,1H3
InChIKeyBVRLPKJNWKGPFO-UHFFFAOYSA-N
XLogP5.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
CID 19959051
1-benzyl-4-(2,5-dimethylphenyl)piperidine
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CID 67627943
[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]methanol;hydrochloride
CID 70203501
1-benzyl-N-methylpiperidin-4-amine
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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 23108898
2-[3-(1-benzylpiperidin-4-yl)-2-nitrophenyl]acetamide
CID 142777077
1-benzylpyrrolidine;propane
CID 143692089

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-propylphenyl)piperidine?
The IUPAC name of 1-benzyl-4-(2-propylphenyl)piperidine (CID 143140323) is 1-benzyl-4-(2-propylphenyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(2-propylphenyl)piperidine?
The canonical SMILES for 1-benzyl-4-(2-propylphenyl)piperidine is CCCc1ccccc1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-propylphenyl)piperidine?
The InChIKey is BVRLPKJNWKGPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-2-8-19-11-6-7-12-21(19)20-13-15-22(16-14-20)17-18-9-4-3-5-10-18/h3-7,9-12,20H,2,8,13-17H2,1H3.
What are the key properties of 1-benzyl-4-(2-propylphenyl)piperidine?
1-benzyl-4-(2-propylphenyl)piperidine has a molecular weight of 293.45 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-propylphenyl)piperidine is sourced from PubChem (CID 143140323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).