1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine

C20H31N — CID 176934197

IUPAC1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine
SMILESCC(C)c1ccc(N2CCC(C(C)C)CC2)cc1C1CC1
InChIInChI=1S/C20H31N/c1-14(2)16-9-11-21(12-10-16)18-7-8-19(15(3)4)20(13-18)17-5-6-17/h7-8,13-17H,5-6,9-12H2,1-4H3
InChIKeyQXAULAVRRSRJNE-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.56
Rot. Bonds4

About 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine

1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine (PubChem CID 176934197) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine
PubChem CID176934197
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine
SMILESCC(C)c1ccc(N2CCC(C(C)C)CC2)cc1C1CC1
InChIInChI=1S/C20H31N/c1-14(2)16-9-11-21(12-10-16)18-7-8-19(15(3)4)20(13-18)17-5-6-17/h7-8,13-17H,5-6,9-12H2,1-4H3
InChIKeyQXAULAVRRSRJNE-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine (CID 176934197) is 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine is CC(C)c1ccc(N2CCC(C(C)C)CC2)cc1C1CC1.
What is the InChIKey of 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine?
The InChIKey is QXAULAVRRSRJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-14(2)16-9-11-21(12-10-16)18-7-8-19(15(3)4)20(13-18)17-5-6-17/h7-8,13-17H,5-6,9-12H2,1-4H3.
What are the key properties of 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine?
1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine has a molecular weight of 285.48 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-4-propan-2-ylphenyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 176934197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).