2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol

C19H32N4O — CID 110932614

IUPAC2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H32N4O/c1-19(2,24)16-22-9-5-6-17(15-22)14-21-10-12-23(13-11-21)18-7-3-4-8-20-18/h3-4,7-8,17,24H,5-6,9-16H2,1-2H3
InChIKeyYRTVCDFYWCAQND-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.69
Rot. Bonds5

About 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol

2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 110932614) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
PubChem CID110932614
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H32N4O/c1-19(2,24)16-22-9-5-6-17(15-22)14-21-10-12-23(13-11-21)18-7-3-4-8-20-18/h3-4,7-8,17,24H,5-6,9-16H2,1-2H3
InChIKeyYRTVCDFYWCAQND-UHFFFAOYSA-N
XLogP1.69
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
(3S)-3-cyclopropyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 52533815
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
CID 133279610
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol (CID 110932614) is 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol is CC(C)(O)CN1CCCC(CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is YRTVCDFYWCAQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(2,24)16-22-9-5-6-17(15-22)14-21-10-12-23(13-11-21)18-7-3-4-8-20-18/h3-4,7-8,17,24H,5-6,9-16H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol?
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 110932614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).