[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol

C15H27N3O — CID 64779447

IUPAC[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCCC(CC)n1ccc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2)18-10-7-14(16-18)11-17-8-5-13(12-19)6-9-17/h7,10,13,15,19H,3-6,8-9,11-12H2,1-2H3
InChIKeyDHIIRDWQLSLZCT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds6

About [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol

[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol (PubChem CID 64779447) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
PubChem CID64779447
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCCC(CC)n1ccc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2)18-10-7-14(16-18)11-17-8-5-13(12-19)6-9-17/h7,10,13,15,19H,3-6,8-9,11-12H2,1-2H3
InChIKeyDHIIRDWQLSLZCT-UHFFFAOYSA-N
XLogP2.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64785595
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 64777691
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807875
3-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-butan-2-ylpyrazole
CID 80691044
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783458

Frequently Asked Questions

What is the IUPAC name of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol (CID 64779447) is [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol is CCC(CC)n1ccc(CN2CCC(CO)CC2)n1.
What is the InChIKey of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is DHIIRDWQLSLZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-15(4-2)18-10-7-14(16-18)11-17-8-5-13(12-19)6-9-17/h7,10,13,15,19H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 64779447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).