2-pentan-3-yl-4-phenylpiperidine

C16H25N — CID 77231300

IUPAC2-pentan-3-yl-4-phenylpiperidine
SMILESCCC(CC)C1CC(c2ccccc2)CCN1
InChIInChI=1S/C16H25N/c1-3-13(4-2)16-12-15(10-11-17-16)14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3
InChIKeyQLLYZRGXCSTGFJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.96
Rot. Bonds4

About 2-pentan-3-yl-4-phenylpiperidine

2-pentan-3-yl-4-phenylpiperidine (PubChem CID 77231300) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-pentan-3-yl-4-phenylpiperidine.

Molecular Properties

Compound Name2-pentan-3-yl-4-phenylpiperidine
PubChem CID77231300
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-pentan-3-yl-4-phenylpiperidine
SMILESCCC(CC)C1CC(c2ccccc2)CCN1
InChIInChI=1S/C16H25N/c1-3-13(4-2)16-12-15(10-11-17-16)14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3
InChIKeyQLLYZRGXCSTGFJ-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4R)-2-cyclopropyl-4-phenylpiperidine
CID 124673517
2-(4-phenylpiperidin-2-yl)propan-2-ol
CID 12560551
2-cyclohexyl-4-phenylpiperidine
CID 57496384
(3-methylcyclopentyl)benzene;propane
CID 142973096
(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
methanamine;4-phenylpiperidine
CID 143444696
2-ethyl-3-phenylpyrrolidine
CID 62354556
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine
CID 70283329
ethane;3-phenylpyrrolidine
CID 91032726
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-4-phenylpiperidine?
The IUPAC name of 2-pentan-3-yl-4-phenylpiperidine (CID 77231300) is 2-pentan-3-yl-4-phenylpiperidine.
What is the SMILES notation for 2-pentan-3-yl-4-phenylpiperidine?
The canonical SMILES for 2-pentan-3-yl-4-phenylpiperidine is CCC(CC)C1CC(c2ccccc2)CCN1.
What is the InChIKey of 2-pentan-3-yl-4-phenylpiperidine?
The InChIKey is QLLYZRGXCSTGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-13(4-2)16-12-15(10-11-17-16)14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3.
What are the key properties of 2-pentan-3-yl-4-phenylpiperidine?
2-pentan-3-yl-4-phenylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-4-phenylpiperidine is sourced from PubChem (CID 77231300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).