4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C17H27N3O2 — CID 136715630

IUPAC4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(CC3(O)CCCCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H27N3O2/c1-13-18-15(11-16(21)19-13)14-5-9-20(10-6-14)12-17(22)7-3-2-4-8-17/h11,14,22H,2-10,12H2,1H3,(H,18,19,21)
InChIKeyWHYYAUFYOZVCIK-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.95
Rot. Bonds3

About 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136715630) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136715630
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(CC3(O)CCCCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H27N3O2/c1-13-18-15(11-16(21)19-13)14-5-9-20(10-6-14)12-17(22)7-3-2-4-8-17/h11,14,22H,2-10,12H2,1H3,(H,18,19,21)
InChIKeyWHYYAUFYOZVCIK-UHFFFAOYSA-N
XLogP1.95
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Cyclopropyl-3-({1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941970
3-({1-[(1-Hydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942452
6-Tert-butyl-3-({1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944692
4-[2-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methylamino]ethyl]-2-methyl-1H-pyrimidin-6-one
CID 136085438
6-{1-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-4-piperidinyl}-2-methyl-4-pyrimidinol
CID 136112847
6-{1-[(3-Hydroxypiperidin-3-yl)methyl]piperidin-4-yl}-2-methylpyrimidin-4-ol
CID 136217853
4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706401
4-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706402
4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 136883235

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 136715630) is 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCN(CC3(O)CCCCC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WHYYAUFYOZVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-18-15(11-16(21)19-13)14-5-9-20(10-6-14)12-17(22)7-3-2-4-8-17/h11,14,22H,2-10,12H2,1H3,(H,18,19,21).
What are the key properties of 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 305.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136715630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).