4-(3-tert-butylphenyl)-1-cyclopentylpiperidine

C20H31N — CID 69029938

IUPAC4-(3-tert-butylphenyl)-1-cyclopentylpiperidine
SMILESCC(C)(C)c1cccc(C2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C20H31N/c1-20(2,3)18-8-6-7-17(15-18)16-11-13-21(14-12-16)19-9-4-5-10-19/h6-8,15-16,19H,4-5,9-14H2,1-3H3
InChIKeyIYENUDMNCZYXDQ-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.11
Rot. Bonds2

About 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine

4-(3-tert-butylphenyl)-1-cyclopentylpiperidine (PubChem CID 69029938) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-1-cyclopentylpiperidine
PubChem CID69029938
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name4-(3-tert-butylphenyl)-1-cyclopentylpiperidine
SMILESCC(C)(C)c1cccc(C2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C20H31N/c1-20(2,3)18-8-6-7-17(15-18)16-11-13-21(14-12-16)19-9-4-5-10-19/h6-8,15-16,19H,4-5,9-14H2,1-3H3
InChIKeyIYENUDMNCZYXDQ-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine?
The IUPAC name of 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine (CID 69029938) is 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine.
What is the SMILES notation for 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine?
The canonical SMILES for 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine is CC(C)(C)c1cccc(C2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine?
The InChIKey is IYENUDMNCZYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-20(2,3)18-8-6-7-17(15-18)16-11-13-21(14-12-16)19-9-4-5-10-19/h6-8,15-16,19H,4-5,9-14H2,1-3H3.
What are the key properties of 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine?
4-(3-tert-butylphenyl)-1-cyclopentylpiperidine has a molecular weight of 285.48 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)-1-cyclopentylpiperidine is sourced from PubChem (CID 69029938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).