[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol

C19H32N4O — CID 131894162

IUPAC[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C19H32N4O/c24-15-18-8-4-5-10-23(18)11-9-20-12-16-13-21-19(22-14-16)17-6-2-1-3-7-17/h13-14,17-18,20,24H,1-12,15H2
InChIKeyAZQLKKBSARNNRK-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.46
Rot. Bonds7

About [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol

[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol (PubChem CID 131894162) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
PubChem CID131894162
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C19H32N4O/c24-15-18-8-4-5-10-23(18)11-9-20-12-16-13-21-19(22-14-16)17-6-2-1-3-7-17/h13-14,17-18,20,24H,1-12,15H2
InChIKeyAZQLKKBSARNNRK-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol 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

[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131936846
[1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131930656
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131933824
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 64985792
[1-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]azepan-2-yl]methanol
CID 116635501

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol (CID 131894162) is [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCNCc1cnc(C2CCCCC2)nc1.
What is the InChIKey of [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol?
The InChIKey is AZQLKKBSARNNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c24-15-18-8-4-5-10-23(18)11-9-20-12-16-13-21-19(22-14-16)17-6-2-1-3-7-17/h13-14,17-18,20,24H,1-12,15H2.
What are the key properties of [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol?
[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol has a molecular weight of 332.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 131894162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).