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

C15H27N3O — CID 103898643

IUPAC4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCCC(CC)n1ccc(CN2CCC(C)C(O)C2)n1
InChIInChI=1S/C15H27N3O/c1-4-14(5-2)18-9-7-13(16-18)10-17-8-6-12(3)15(19)11-17/h7,9,12,14-15,19H,4-6,8,10-11H2,1-3H3
InChIKeyBBLHLUDKOHOHJQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds5

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

4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol (PubChem CID 103898643) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol
PubChem CID103898643
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCCC(CC)n1ccc(CN2CCC(C)C(O)C2)n1
InChIInChI=1S/C15H27N3O/c1-4-14(5-2)18-9-7-13(16-18)10-17-8-6-12(3)15(19)11-17/h7,9,12,14-15,19H,4-6,8,10-11H2,1-3H3
InChIKeyBBLHLUDKOHOHJQ-UHFFFAOYSA-N
XLogP2.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 72141014
1-(2-Methoxyethyl)-9-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396281
1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
(4S*)-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
CID 70780698
1-[(2-Ethylpyrazol-3-YL)methyl]-4-(trifluoromethyl)piperidin-4-OL
CID 86796031
4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
(4R)-6,6-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-ol
CID 164632139
Sdccgsbi-0115155.P001
CID 45208115
1-(diallylamino)-3-(3-methyl-1H-pyrazol-1-yl)propan-2-ol
CID 3397368
3-Methyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-ol
CID 80448964
1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 100663549

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol (CID 103898643) is 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol is CCC(CC)n1ccc(CN2CCC(C)C(O)C2)n1.
What is the InChIKey of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is BBLHLUDKOHOHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-14(5-2)18-9-7-13(16-18)10-17-8-6-12(3)15(19)11-17/h7,9,12,14-15,19H,4-6,8,10-11H2,1-3H3.
What are the key properties of 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 103898643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).