1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

C15H23ClN4 — CID 120898300

IUPAC1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(c3ccc(Cl)cn3)CC2)CCNC1
InChIInChI=1S/C15H23ClN4/c1-15(4-5-17-11-15)12-19-6-8-20(9-7-19)14-3-2-13(16)10-18-14/h2-3,10,17H,4-9,11-12H2,1H3
InChIKeyGFGZOMXQRXBGPI-UHFFFAOYSA-N
MW294.83 g/mol
LogP1.86
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 120898300) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
PubChem CID120898300
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(c3ccc(Cl)cn3)CC2)CCNC1
InChIInChI=1S/C15H23ClN4/c1-15(4-5-17-11-15)12-19-6-8-20(9-7-19)14-3-2-13(16)10-18-14/h2-3,10,17H,4-9,11-12H2,1H3
InChIKeyGFGZOMXQRXBGPI-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 120898559
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120905694
1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122836
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride
CID 120900106
1-(2,3-difluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120900542
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897569
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
CID 66233219
4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
CID 66233004
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120902495

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (CID 120898300) is 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is CC1(CN2CCN(c3ccc(Cl)cn3)CC2)CCNC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is GFGZOMXQRXBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-15(4-5-17-11-15)12-19-6-8-20(9-7-19)14-3-2-13(16)10-18-14/h2-3,10,17H,4-9,11-12H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 294.83 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 120898300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).