1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol

C14H25N3O — CID 111107030

IUPAC1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1CCCc1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-12(18)14-7-3-4-8-17(14)9-5-6-13-10-15-16(2)11-13/h10-12,14,18H,3-9H2,1-2H3
InChIKeyDSVWAFUAPHHSTI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.59
Rot. Bonds5

About 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol

1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol (PubChem CID 111107030) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol
PubChem CID111107030
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1CCCc1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-12(18)14-7-3-4-8-17(14)9-5-6-13-10-15-16(2)11-13/h10-12,14,18H,3-9H2,1-2H3
InChIKeyDSVWAFUAPHHSTI-UHFFFAOYSA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 63855206
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
CID 98759209
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine
CID 67666109
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol (CID 111107030) is 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol is CC(O)C1CCCCN1CCCc1cnn(C)c1.
What is the InChIKey of 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol?
The InChIKey is DSVWAFUAPHHSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(18)14-7-3-4-8-17(14)9-5-6-13-10-15-16(2)11-13/h10-12,14,18H,3-9H2,1-2H3.
What are the key properties of 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol?
1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111107030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).