1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine

C16H18ClN3 — CID 3810529

IUPAC1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
SMILESClc1cccc(C(c2cccnc2)N2CCNCC2)c1
InChIInChI=1S/C16H18ClN3/c17-15-5-1-3-13(11-15)16(14-4-2-6-19-12-14)20-9-7-18-8-10-20/h1-6,11-12,16,18H,7-10H2
InChIKeyVWNMAGSKXLBBKE-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.73
Rot. Bonds3

About 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine

1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine (PubChem CID 3810529) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
PubChem CID3810529
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
SMILESClc1cccc(C(c2cccnc2)N2CCNCC2)c1
InChIInChI=1S/C16H18ClN3/c17-15-5-1-3-13(11-15)16(14-4-2-6-19-12-14)20-9-7-18-8-10-20/h1-6,11-12,16,18H,7-10H2
InChIKeyVWNMAGSKXLBBKE-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4209261
6-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]isoquinoline
CID 5238042
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927
1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane
CID 4615569
3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline
CID 3563133
1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 4296958
1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287676
2-[(3-chlorophenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole
CID 3762968
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane
CID 3770169
1-[(3-chlorophenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3829385

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine (CID 3810529) is 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine is Clc1cccc(C(c2cccnc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine?
The InChIKey is VWNMAGSKXLBBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-15-5-1-3-13(11-15)16(14-4-2-6-19-12-14)20-9-7-18-8-10-20/h1-6,11-12,16,18H,7-10H2.
What are the key properties of 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine?
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine has a molecular weight of 287.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 3810529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).