1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine

C16H26N4 — CID 120850002

IUPAC1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
SMILESCc1ccncc1N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H26N4/c1-14-4-6-18-12-16(14)20-9-7-19(8-10-20)13-15-3-2-5-17-11-15/h4,6,12,15,17H,2-3,5,7-11,13H2,1H3
InChIKeyVDWZKETVCQWPPZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.51
Rot. Bonds3

About 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine

1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine (PubChem CID 120850002) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
PubChem CID120850002
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
SMILESCc1ccncc1N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H26N4/c1-14-4-6-18-12-16(14)20-9-7-19(8-10-20)13-15-3-2-5-17-11-15/h4,6,12,15,17H,2-3,5,7-11,13H2,1H3
InChIKeyVDWZKETVCQWPPZ-UHFFFAOYSA-N
XLogP1.51
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
4-[5-methyl-1-(piperidin-3-ylmethyl)imidazol-2-yl]pyridine
CID 90488017
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944951
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
CID 95715719
3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine
CID 64952009
N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 114698820
1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944988
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine (CID 120850002) is 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine is Cc1ccncc1N1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine?
The InChIKey is VDWZKETVCQWPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-14-4-6-18-12-16(14)20-9-7-19(8-10-20)13-15-3-2-5-17-11-15/h4,6,12,15,17H,2-3,5,7-11,13H2,1H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine?
1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine is sourced from PubChem (CID 120850002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).