4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine

C20H33N — CID 176934369

IUPAC4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)CCCC1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H33N/c1-16(2)6-5-7-18-12-14-21(15-13-18)20-10-8-19(9-11-20)17(3)4/h8-11,16-18H,5-7,12-15H2,1-4H3
InChIKeyOKDGSLYRJCTLJR-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.85
Rot. Bonds6

About 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine

4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine (PubChem CID 176934369) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
PubChem CID176934369
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)CCCC1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H33N/c1-16(2)6-5-7-18-12-14-21(15-13-18)20-10-8-19(9-11-20)17(3)4/h8-11,16-18H,5-7,12-15H2,1-4H3
InChIKeyOKDGSLYRJCTLJR-UHFFFAOYSA-N
XLogP5.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-butyl-1-(4-propan-2-ylphenyl)azetidine
CID 178164726
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513515
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585
1-(4-propan-2-ylphenyl)azetidin-3-amine
CID 117002806
1-(4-pentan-2-ylphenyl)piperidin-4-ol
CID 166926420
2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121262109
4-[1-[4-(4-methylpentyl)piperidin-1-yl]ethenyl]aniline
CID 146582943
1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine
CID 177267335
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609
3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 170442503

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine (CID 176934369) is 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine is CC(C)CCCC1CCN(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine?
The InChIKey is OKDGSLYRJCTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16(2)6-5-7-18-12-14-21(15-13-18)20-10-8-19(9-11-20)17(3)4/h8-11,16-18H,5-7,12-15H2,1-4H3.
What are the key properties of 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine?
4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine has a molecular weight of 287.49 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 176934369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).