1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine

C22H31ClN4 — CID 135144443

IUPAC1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H31ClN4/c1-25(2)11-10-22(24)19-5-3-4-18(16-19)17-26-12-14-27(15-13-26)21-8-6-20(23)7-9-21/h3-9,16,22H,10-15,17,24H2,1-2H3
InChIKeyKSYRCHZCYJDPOJ-UHFFFAOYSA-N
MW386.97 g/mol
LogP3.61
Rot. Bonds7

About 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine

1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 135144443) has the molecular formula C22H31ClN4 and a molecular weight of 386.97 g/mol. Its IUPAC name is 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID135144443
Molecular FormulaC22H31ClN4
Molecular Weight386.97 g/mol
Exact Mass386.22
IUPAC Name1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H31ClN4/c1-25(2)11-10-22(24)19-5-3-4-18(16-19)17-26-12-14-27(15-13-26)21-8-6-20(23)7-9-21/h3-9,16,22H,10-15,17,24H2,1-2H3
InChIKeyKSYRCHZCYJDPOJ-UHFFFAOYSA-N
XLogP3.61
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
4-[1-amino-3-(dimethylamino)propyl]-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzonitrile
CID 135144468
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
CID 62477828
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine (CID 135144443) is 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCC(N)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KSYRCHZCYJDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4/c1-25(2)11-10-22(24)19-5-3-4-18(16-19)17-26-12-14-27(15-13-26)21-8-6-20(23)7-9-21/h3-9,16,22H,10-15,17,24H2,1-2H3.
What are the key properties of 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 386.97 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 135144443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).