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

C17H27ClN4 — CID 45241671

IUPAC1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine
SMILESCCN1CCCCC1CN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H27ClN4/c1-2-21-8-4-3-5-16(21)14-20-9-11-22(12-10-20)17-7-6-15(18)13-19-17/h6-7,13,16H,2-5,8-12,14H2,1H3
InChIKeyQXPBYCCHBYLJFB-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.73
Rot. Bonds4

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

1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine (PubChem CID 45241671) has the molecular formula C17H27ClN4 and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine
PubChem CID45241671
Molecular FormulaC17H27ClN4
Molecular Weight322.88 g/mol
Exact Mass322.19
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine
SMILESCCN1CCCCC1CN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H27ClN4/c1-2-21-8-4-3-5-16(21)14-20-9-11-22(12-10-20)17-7-6-15(18)13-19-17/h6-7,13,16H,2-5,8-12,14H2,1H3
InChIKeyQXPBYCCHBYLJFB-UHFFFAOYSA-N
XLogP2.73
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine
CID 75374268
5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 133447371
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
CID 82167513
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124705270
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanesulfinate
CID 174401192
6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
CID 176560387
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine (CID 45241671) is 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine is CCN1CCCCC1CN1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine?
The InChIKey is QXPBYCCHBYLJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4/c1-2-21-8-4-3-5-16(21)14-20-9-11-22(12-10-20)17-7-6-15(18)13-19-17/h6-7,13,16H,2-5,8-12,14H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine has a molecular weight of 322.88 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine is sourced from PubChem (CID 45241671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).