3-phenyl-1-propylpiperidine

C14H21N — CID 12937946

IUPAC3-phenyl-1-propylpiperidine
SMILESCCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C14H21N/c1-2-10-15-11-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyBJGOULYFYANDMK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.28
Rot. Bonds3

About 3-phenyl-1-propylpiperidine

3-phenyl-1-propylpiperidine (PubChem CID 12937946) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-phenyl-1-propylpiperidine.

Molecular Properties

Compound Name3-phenyl-1-propylpiperidine
PubChem CID12937946
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-phenyl-1-propylpiperidine
SMILESCCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C14H21N/c1-2-10-15-11-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyBJGOULYFYANDMK-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 22283003
3-phenyl-1-propylsulfanylpiperidine
CID 130223294
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine
CID 11778702
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide
CID 131911046
N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine
CID 72815918
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
[3-(1-propylpiperidin-3-yl)phenyl] 2,2-dimethylpropanoate
CID 23045628

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propylpiperidine?
The IUPAC name of 3-phenyl-1-propylpiperidine (CID 12937946) is 3-phenyl-1-propylpiperidine.
What is the SMILES notation for 3-phenyl-1-propylpiperidine?
The canonical SMILES for 3-phenyl-1-propylpiperidine is CCCN1CCCC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-propylpiperidine?
The InChIKey is BJGOULYFYANDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-10-15-11-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of 3-phenyl-1-propylpiperidine?
3-phenyl-1-propylpiperidine has a molecular weight of 203.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propylpiperidine is sourced from PubChem (CID 12937946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).