1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol

C10H16ClN3O — CID 60690023

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol
SMILESCn1c(Cl)cnc1CN1CCCC(O)C1
InChIInChI=1S/C10H16ClN3O/c1-13-9(11)5-12-10(13)7-14-4-2-3-8(15)6-14/h5,8,15H,2-4,6-7H2,1H3
InChIKeyGELSSVRKQOGLPO-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.03
Rot. Bonds2

About 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol

1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol (PubChem CID 60690023) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol
PubChem CID60690023
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol
SMILESCn1c(Cl)cnc1CN1CCCC(O)C1
InChIInChI=1S/C10H16ClN3O/c1-13-9(11)5-12-10(13)7-14-4-2-3-8(15)6-14/h5,8,15H,2-4,6-7H2,1H3
InChIKeyGELSSVRKQOGLPO-UHFFFAOYSA-N
XLogP1.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
1-[(3-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 71649793
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339871
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
CID 110904761
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
(3S)-1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 107225975
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
CID 107225981
(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol (CID 60690023) is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol is Cn1c(Cl)cnc1CN1CCCC(O)C1.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol?
The InChIKey is GELSSVRKQOGLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-13-9(11)5-12-10(13)7-14-4-2-3-8(15)6-14/h5,8,15H,2-4,6-7H2,1H3.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol?
1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 229.71 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 60690023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).