1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol

C14H21N3O — CID 56720192

IUPAC1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol
SMILESCCC/C=C/c1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C14H21N3O/c1-2-3-4-7-13-15-9-8-14(16-13)17-10-5-6-12(18)11-17/h4,7-9,12,18H,2-3,5-6,10-11H2,1H3/b7-4+
InChIKeyLXKCAWXWWYDOJC-QPJJXVBHSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol

1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 56720192) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol
PubChem CID56720192
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol
SMILESCCC/C=C/c1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C14H21N3O/c1-2-3-4-7-13-15-9-8-14(16-13)17-10-5-6-12(18)11-17/h4,7-9,12,18H,2-3,5-6,10-11H2,1H3/b7-4+
InChIKeyLXKCAWXWWYDOJC-QPJJXVBHSA-N
XLogP2.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 42641532
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 95142756
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 95122705
1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol
CID 72912997
1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol
CID 77088330
(3S)-1-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-3-ol
CID 95131017

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol (CID 56720192) is 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol is CCC/C=C/c1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is LXKCAWXWWYDOJC-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-4-7-13-15-9-8-14(16-13)17-10-5-6-12(18)11-17/h4,7-9,12,18H,2-3,5-6,10-11H2,1H3/b7-4+.
What are the key properties of 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 247.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 56720192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).