3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine

C14H21ClN2 — CID 82131800

IUPAC3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c15-14-4-2-12(3-5-14)13-6-10-17(11-7-13)9-1-8-16/h2-5,13H,1,6-11,16H2
InChIKeyPSTUFZQHMVGKJR-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.87
Rot. Bonds4

About 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine

3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine (PubChem CID 82131800) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
PubChem CID82131800
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c15-14-4-2-12(3-5-14)13-6-10-17(11-7-13)9-1-8-16/h2-5,13H,1,6-11,16H2
InChIKeyPSTUFZQHMVGKJR-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770
3-[1-(4-aminobutyl)piperidin-4-yl]aniline
CID 54467762
5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 57382073
3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine
CID 69409123
3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;dihydrochloride
CID 67627591
8-(3-aminopropoxy)-5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 135372994
7-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 44536677

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine (CID 82131800) is 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine is NCCCN1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine?
The InChIKey is PSTUFZQHMVGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-14-4-2-12(3-5-14)13-6-10-17(11-7-13)9-1-8-16/h2-5,13H,1,6-11,16H2.
What are the key properties of 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine?
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 82131800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).