[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol

C14H21N3O2 — CID 119064003

IUPAC[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(C3CCOC3)ncn2)CC1
InChIInChI=1S/C14H21N3O2/c18-8-11-1-4-17(5-2-11)14-7-13(15-10-16-14)12-3-6-19-9-12/h7,10-12,18H,1-6,8-9H2
InChIKeyYBUPBSNHTBCDJM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds3

About [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol

[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 119064003) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID119064003
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(C3CCOC3)ncn2)CC1
InChIInChI=1S/C14H21N3O2/c18-8-11-1-4-17(5-2-11)14-7-13(15-10-16-14)12-3-6-19-9-12/h7,10-12,18H,1-6,8-9H2
InChIKeyYBUPBSNHTBCDJM-UHFFFAOYSA-N
XLogP1.19
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
CID 119070926
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 126430167
1-[2-[1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 126436676
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299
1-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451063
1-[4-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451064
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 125165448
1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 118779088
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 126440281
tert-butyl 4-[6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
CID 126849871

Frequently Asked Questions

What is the IUPAC name of [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 119064003) is [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol is OCC1CCN(c2cc(C3CCOC3)ncn2)CC1.
What is the InChIKey of [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is YBUPBSNHTBCDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-8-11-1-4-17(5-2-11)14-7-13(15-10-16-14)12-3-6-19-9-12/h7,10-12,18H,1-6,8-9H2.
What are the key properties of [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 263.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 119064003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).