2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride

C15H19ClN4 — CID 120768365

IUPAC2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CN2CCNCC2c2cccnc2)nc1
InChIInChI=1S/C15H18N4.ClH/c1-2-7-18-14(5-1)12-19-9-8-17-11-15(19)13-4-3-6-16-10-13;/h1-7,10,15,17H,8-9,11-12H2;1H
InChIKeyDLAZKYUATMFSSL-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.04
Rot. Bonds3

About 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride

2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride (PubChem CID 120768365) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
PubChem CID120768365
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CN2CCNCC2c2cccnc2)nc1
InChIInChI=1S/C15H18N4.ClH/c1-2-7-18-14(5-1)12-19-9-8-17-11-15(19)13-4-3-6-16-10-13;/h1-7,10,15,17H,8-9,11-12H2;1H
InChIKeyDLAZKYUATMFSSL-UHFFFAOYSA-N
XLogP2.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride (CID 120768365) is 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride is Cl.c1ccc(CN2CCNCC2c2cccnc2)nc1.
What is the InChIKey of 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is DLAZKYUATMFSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4.ClH/c1-2-7-18-14(5-1)12-19-9-8-17-11-15(19)13-4-3-6-16-10-13;/h1-7,10,15,17H,8-9,11-12H2;1H.
What are the key properties of 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 120768365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).