3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one

C10H15N3O2 — CID 160968423

IUPAC3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1(O)CCNCC1
InChIInChI=1S/C10H15N3O2/c14-9-1-4-12-8-13(9)7-10(15)2-5-11-6-3-10/h1,4,8,11,15H,2-3,5-7H2
InChIKeySXXVPSNTLADVNW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.64
Rot. Bonds2

About 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one

3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 160968423) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID160968423
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1(O)CCNCC1
InChIInChI=1S/C10H15N3O2/c14-9-1-4-12-8-13(9)7-10(15)2-5-11-6-3-10/h1,4,8,11,15H,2-3,5-7H2
InChIKeySXXVPSNTLADVNW-UHFFFAOYSA-N
XLogP-0.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-3-[(4-hydroxy-3,3-dimethylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 134211864
6-Chloro-3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one
CID 139414866
6-Chloro-3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one;sulfane
CID 166554617
N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide
CID 167160612
3-(Piperidin-4-ylmethyl)pyrimidin-4-one
CID 63769365
3-(2-Piperidin-4-ylethyl)pyrimidin-4-one
CID 105061167
3-({1-[(1-Hydroxycyclobutyl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126945049
4-(4-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958032
6-(2-Aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 142331310

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one (CID 160968423) is 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one is O=c1ccncn1CC1(O)CCNCC1.
What is the InChIKey of 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is SXXVPSNTLADVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-1-4-12-8-13(9)7-10(15)2-5-11-6-3-10/h1,4,8,11,15H,2-3,5-7H2.
What are the key properties of 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one?
3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxypiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 160968423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).