1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine

C18H29ClN2 — CID 43094241

IUPAC1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
SMILESCCC(NCCCN1CCC(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-3-18(16-6-4-7-17(19)14-16)20-10-5-11-21-12-8-15(2)9-13-21/h4,6-7,14-15,18,20H,3,5,8-13H2,1-2H3
InChIKeyDZXIQHUUMPBSNQ-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine

1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine (PubChem CID 43094241) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
PubChem CID43094241
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
SMILESCCC(NCCCN1CCC(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-3-18(16-6-4-7-17(19)14-16)20-10-5-11-21-12-8-15(2)9-13-21/h4,6-7,14-15,18,20H,3,5,8-13H2,1-2H3
InChIKeyDZXIQHUUMPBSNQ-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine (CID 43094241) is 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine is CCC(NCCCN1CCC(C)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine?
The InChIKey is DZXIQHUUMPBSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-18(16-6-4-7-17(19)14-16)20-10-5-11-21-12-8-15(2)9-13-21/h4,6-7,14-15,18,20H,3,5,8-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine?
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 43094241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).