1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine

C17H28N4 — CID 82201838

IUPAC1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine
SMILESCC1CCCN(C(CN2CCNCC2)c2ccccn2)C1
InChIInChI=1S/C17H28N4/c1-15-5-4-10-21(13-15)17(16-6-2-3-7-19-16)14-20-11-8-18-9-12-20/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3
InChIKeyGCDWVCGMQNIFTH-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.76
Rot. Bonds4

About 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine

1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine (PubChem CID 82201838) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine
PubChem CID82201838
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine
SMILESCC1CCCN(C(CN2CCNCC2)c2ccccn2)C1
InChIInChI=1S/C17H28N4/c1-15-5-4-10-21(13-15)17(16-6-2-3-7-19-16)14-20-11-8-18-9-12-20/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3
InChIKeyGCDWVCGMQNIFTH-UHFFFAOYSA-N
XLogP1.76
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
CID 83980176
3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
CID 83980175
2,6-dimethyl-4-(2-piperazin-1-yl-1-pyridin-2-ylethyl)morpholine
CID 82201847
1-(1-pyridin-2-yl-2-pyrrolidin-1-ylethyl)piperazine
CID 83980171
1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine
CID 82201637
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
CID 54985578
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile
CID 131380962
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine (CID 82201838) is 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine is CC1CCCN(C(CN2CCNCC2)c2ccccn2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine?
The InChIKey is GCDWVCGMQNIFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15-5-4-10-21(13-15)17(16-6-2-3-7-19-16)14-20-11-8-18-9-12-20/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3.
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine?
1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine is sourced from PubChem (CID 82201838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).