1-(4-pentan-3-ylphenyl)piperidine

C16H25N — CID 170127380

IUPAC1-(4-pentan-3-ylphenyl)piperidine
SMILESCCC(CC)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H25N/c1-3-14(4-2)15-8-10-16(11-9-15)17-12-6-5-7-13-17/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyHPLKTDJQUHDWGA-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.58
Rot. Bonds4

About 1-(4-pentan-3-ylphenyl)piperidine

1-(4-pentan-3-ylphenyl)piperidine (PubChem CID 170127380) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(4-pentan-3-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(4-pentan-3-ylphenyl)piperidine
PubChem CID170127380
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(4-pentan-3-ylphenyl)piperidine
SMILESCCC(CC)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H25N/c1-3-14(4-2)15-8-10-16(11-9-15)17-12-6-5-7-13-17/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyHPLKTDJQUHDWGA-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.58
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

1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 8878010
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
CID 169104923
1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one
CID 82161000
1-(4-piperidin-1-ylphenyl)butan-2-ol
CID 82160958
1,7-diphenyl-4-(4-piperidin-1-ylphenyl)heptane-2,6-dione
CID 146916690

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentan-3-ylphenyl)piperidine?
The IUPAC name of 1-(4-pentan-3-ylphenyl)piperidine (CID 170127380) is 1-(4-pentan-3-ylphenyl)piperidine.
What is the SMILES notation for 1-(4-pentan-3-ylphenyl)piperidine?
The canonical SMILES for 1-(4-pentan-3-ylphenyl)piperidine is CCC(CC)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-pentan-3-ylphenyl)piperidine?
The InChIKey is HPLKTDJQUHDWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-14(4-2)15-8-10-16(11-9-15)17-12-6-5-7-13-17/h8-11,14H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-pentan-3-ylphenyl)piperidine?
1-(4-pentan-3-ylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentan-3-ylphenyl)piperidine is sourced from PubChem (CID 170127380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).