1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine

C15H17ClN4 — CID 133351662

IUPAC1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESClc1cnccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H17ClN4/c16-14-11-18-5-3-15(14)20-8-6-19(7-9-20)12-13-2-1-4-17-10-13/h1-5,10-11H,6-9,12H2
InChIKeyVWQHRWODEGLBDN-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine

1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 133351662) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
PubChem CID133351662
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESClc1cnccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H17ClN4/c16-14-11-18-5-3-15(14)20-8-6-19(7-9-20)12-13-2-1-4-17-10-13/h1-5,10-11H,6-9,12H2
InChIKeyVWQHRWODEGLBDN-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
1-(5-chloro-2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine
CID 78845508
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid
CID 25408292
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-benzyl-4-[4-(chloromethyl)-3-pyridinyl]piperazine
CID 105067248
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazine
CID 24606737
3-chloro-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline
CID 154878499
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine (CID 133351662) is 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine is Clc1cnccc1N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is VWQHRWODEGLBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-14-11-18-5-3-15(14)20-8-6-19(7-9-20)12-13-2-1-4-17-10-13/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine?
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 288.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 133351662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).