N-[1-(3-chlorophenyl)propyl]piperidin-1-amine

C14H21ClN2 — CID 83006471

IUPACN-[1-(3-chlorophenyl)propyl]piperidin-1-amine
SMILESCCC(NN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-2-14(12-7-6-8-13(15)11-12)16-17-9-4-3-5-10-17/h6-8,11,14,16H,2-5,9-10H2,1H3
InChIKeyIUGMDBLLWRXWOE-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]piperidin-1-amine

N-[1-(3-chlorophenyl)propyl]piperidin-1-amine (PubChem CID 83006471) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]piperidin-1-amine
PubChem CID83006471
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[1-(3-chlorophenyl)propyl]piperidin-1-amine
SMILESCCC(NN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-2-14(12-7-6-8-13(15)11-12)16-17-9-4-3-5-10-17/h6-8,11,14,16H,2-5,9-10H2,1H3
InChIKeyIUGMDBLLWRXWOE-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine
CID 83009566
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43104352
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-chlorophenyl)propyl]pent-1-yn-3-amine
CID 106224494
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]piperidin-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]piperidin-1-amine (CID 83006471) is N-[1-(3-chlorophenyl)propyl]piperidin-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]piperidin-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]piperidin-1-amine is CCC(NN1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]piperidin-1-amine?
The InChIKey is IUGMDBLLWRXWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-14(12-7-6-8-13(15)11-12)16-17-9-4-3-5-10-17/h6-8,11,14,16H,2-5,9-10H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]piperidin-1-amine?
N-[1-(3-chlorophenyl)propyl]piperidin-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]piperidin-1-amine is sourced from PubChem (CID 83006471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).