N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine

C14H22ClN3 — CID 83009566

IUPACN-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine
SMILESCCC(NN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-3-14(12-5-4-6-13(15)11-12)16-18-9-7-17(2)8-10-18/h4-6,11,14,16H,3,7-10H2,1-2H3
InChIKeyKVFALWZYPUSZOY-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine

N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine (PubChem CID 83009566) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine
PubChem CID83009566
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine
SMILESCCC(NN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-3-14(12-5-4-6-13(15)11-12)16-18-9-7-17(2)8-10-18/h4-6,11,14,16H,3,7-10H2,1-2H3
InChIKeyKVFALWZYPUSZOY-UHFFFAOYSA-N
XLogP2.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)propyl]piperidin-1-amine
CID 83006471
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
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]-2-methylpentan-3-amine
CID 43779182
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine (CID 83009566) is N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine is CCC(NN1CCN(C)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine?
The InChIKey is KVFALWZYPUSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-14(12-5-4-6-13(15)11-12)16-18-9-7-17(2)8-10-18/h4-6,11,14,16H,3,7-10H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine?
N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine has a molecular weight of 267.80 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).