[3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol

C14H23N3O — CID 70778823

IUPAC[3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2ncccn2)C1
InChIInChI=1S/C14H23N3O/c1-2-5-14(12-18)6-3-9-17(11-14)10-13-15-7-4-8-16-13/h4,7-8,18H,2-3,5-6,9-12H2,1H3
InChIKeyNEPOFFUSPHNXHI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.85
Rot. Bonds5

About [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol

[3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 70778823) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID70778823
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2ncccn2)C1
InChIInChI=1S/C14H23N3O/c1-2-5-14(12-18)6-3-9-17(11-14)10-13-15-7-4-8-16-13/h4,7-8,18H,2-3,5-6,9-12H2,1H3
InChIKeyNEPOFFUSPHNXHI-UHFFFAOYSA-N
XLogP1.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
[2-(Pyrimidin-2-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 90488145
[1-[(2-Propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
CID 73440666
{1-[(Pyrimidin-2-yl)methyl]piperidin-4-yl}methanol
CID 62699790
[1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinyl]methanol
CID 72901817
[8-(Cyclohexylmethyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910444
(1-(Pyrimidin-2-yl)piperidin-3-yl)methanol
CID 6456539
(4S)-3,3,4-trimethyl-1-(2-pyrimidinylmethyl)-4-piperidinol
CID 72908514
[3-(3-Methoxypropyl)-1-(5-pyrimidinylmethyl)-3-piperidinyl]methanol
CID 72927990
[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 164640178
[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139358337
(4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol
CID 141406624

Frequently Asked Questions

What is the IUPAC name of [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol (CID 70778823) is [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol is CCCC1(CO)CCCN(Cc2ncccn2)C1.
What is the InChIKey of [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is NEPOFFUSPHNXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-5-14(12-18)6-3-9-17(11-14)10-13-15-7-4-8-16-13/h4,7-8,18H,2-3,5-6,9-12H2,1H3.
What are the key properties of [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol?
[3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 70778823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).