N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine

C14H22ClN3 — CID 91802765

IUPACN-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine
SMILESCC(CN1CCNCC1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-12(11-18-7-5-16-6-8-18)17-10-13-3-2-4-14(15)9-13/h2-4,9,12,16-17H,5-8,10-11H2,1H3
InChIKeyRYSDOIZIAXJAQZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP1.72
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine

N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine (PubChem CID 91802765) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine
PubChem CID91802765
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine
SMILESCC(CN1CCNCC1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-12(11-18-7-5-16-6-8-18)17-10-13-3-2-4-14(15)9-13/h2-4,9,12,16-17H,5-8,10-11H2,1H3
InChIKeyRYSDOIZIAXJAQZ-UHFFFAOYSA-N
XLogP1.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849601
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol
CID 65447764
N-[1-(3-chlorophenyl)propan-2-yl]piperazine-1-sulfonamide
CID 61253121
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
N-[(3-chlorophenyl)methyl]-4-piperazin-1-ylaniline
CID 162658647

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine (CID 91802765) is N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine is CC(CN1CCNCC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine?
The InChIKey is RYSDOIZIAXJAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-12(11-18-7-5-16-6-8-18)17-10-13-3-2-4-14(15)9-13/h2-4,9,12,16-17H,5-8,10-11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine?
N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine is sourced from PubChem (CID 91802765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).