1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine

C15H23ClN2 — CID 62538948

IUPAC1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2/c1-2-8-17-15-6-9-18(10-7-15)12-13-4-3-5-14(16)11-13/h3-5,11,15,17H,2,6-10,12H2,1H3
InChIKeyMJMVKMAMHRIMBZ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.30
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine

1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 62538948) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID62538948
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2/c1-2-8-17-15-6-9-18(10-7-15)12-13-4-3-5-14(16)11-13/h3-5,11,15,17H,2,6-10,12H2,1H3
InChIKeyMJMVKMAMHRIMBZ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-butylpiperidin-4-amine
CID 11253643
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949
1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729064
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-benzyl-N-(4-ethoxybutyl)piperidin-4-amine
CID 167246336
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine
CID 83980952
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-(naphthalen-1-ylmethyl)-N-propylpiperidin-4-amine
CID 60820486

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine (CID 62538948) is 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is MJMVKMAMHRIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-8-17-15-6-9-18(10-7-15)12-13-4-3-5-14(16)11-13/h3-5,11,15,17H,2,6-10,12H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine?
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 62538948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).