1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine

C16H25ClN4 — CID 75374268

IUPAC1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CCCN(c3ccc(Cl)cn3)C2)CC1
InChIInChI=1S/C16H25ClN4/c1-19-7-9-20(10-8-19)12-14-3-2-6-21(13-14)16-5-4-15(17)11-18-16/h4-5,11,14H,2-3,6-10,12-13H2,1H3
InChIKeySNUQIQFSQDLDPC-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.20
Rot. Bonds3

About 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine

1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine (PubChem CID 75374268) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine
PubChem CID75374268
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CCCN(c3ccc(Cl)cn3)C2)CC1
InChIInChI=1S/C16H25ClN4/c1-19-7-9-20(10-8-19)12-14-3-2-6-21(13-14)16-5-4-15(17)11-18-16/h4-5,11,14H,2-3,6-10,12-13H2,1H3
InChIKeySNUQIQFSQDLDPC-UHFFFAOYSA-N
XLogP2.20
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine (CID 75374268) is 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine is CN1CCN(CC2CCCN(c3ccc(Cl)cn3)C2)CC1.
What is the InChIKey of 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine?
The InChIKey is SNUQIQFSQDLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-19-7-9-20(10-8-19)12-14-3-2-6-21(13-14)16-5-4-15(17)11-18-16/h4-5,11,14H,2-3,6-10,12-13H2,1H3.
What are the key properties of 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine?
1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine has a molecular weight of 308.86 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 75374268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).