[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol

C16H28N4O — CID 45191799

IUPAC[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
SMILESCn1nccc1CN1CCC(N2CCCC(CO)C2)CC1
InChIInChI=1S/C16H28N4O/c1-18-16(4-7-17-18)12-19-9-5-15(6-10-19)20-8-2-3-14(11-20)13-21/h4,7,14-15,21H,2-3,5-6,8-13H2,1H3
InChIKeyWYMBJWKSIRKKOH-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.09
Rot. Bonds4

About [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol

[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 45191799) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID45191799
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
SMILESCn1nccc1CN1CCC(N2CCCC(CO)C2)CC1
InChIInChI=1S/C16H28N4O/c1-18-16(4-7-17-18)12-19-9-5-15(6-10-19)20-8-2-3-14(11-20)13-21/h4,7,14-15,21H,2-3,5-6,8-13H2,1H3
InChIKeyWYMBJWKSIRKKOH-UHFFFAOYSA-N
XLogP1.09
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 99948168
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
1-[(2-methylpyrazol-3-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255576
1-cyclopentyl-4-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 73440511
[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 104694713
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
N-methyl-3-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113217
1-[(3aR,8aS)-6-[(2-methylpyrazol-3-yl)methyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-(oxan-4-yl)ethanone
CID 155876930
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol (CID 45191799) is [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol is Cn1nccc1CN1CCC(N2CCCC(CO)C2)CC1.
What is the InChIKey of [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is WYMBJWKSIRKKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-18-16(4-7-17-18)12-19-9-5-15(6-10-19)20-8-2-3-14(11-20)13-21/h4,7,14-15,21H,2-3,5-6,8-13H2,1H3.
What are the key properties of [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 45191799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).