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

C11H18ClN3O — CID 60685083

IUPAC[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
SMILESCn1c(Cl)cnc1CN1CCCCC1CO
InChIInChI=1S/C11H18ClN3O/c1-14-10(12)6-13-11(14)7-15-5-3-2-4-9(15)8-16/h6,9,16H,2-5,7-8H2,1H3
InChIKeyWBQVTNWRRYFGTP-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.42
Rot. Bonds3

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

[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol (PubChem CID 60685083) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
PubChem CID60685083
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
SMILESCn1c(Cl)cnc1CN1CCCCC1CO
InChIInChI=1S/C11H18ClN3O/c1-14-10(12)6-13-11(14)7-15-5-3-2-4-9(15)8-16/h6,9,16H,2-5,7-8H2,1H3
InChIKeyWBQVTNWRRYFGTP-UHFFFAOYSA-N
XLogP1.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338141
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81493206
2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339871
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 65417436
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43217592
1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-3-ol
CID 60690023
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
CID 80609754
[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 110921376
[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 113442476

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol (CID 60685083) is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol is Cn1c(Cl)cnc1CN1CCCCC1CO.
What is the InChIKey of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is WBQVTNWRRYFGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-14-10(12)6-13-11(14)7-15-5-3-2-4-9(15)8-16/h6,9,16H,2-5,7-8H2,1H3.
What are the key properties of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol?
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 243.74 g/mol, XLogP of 1.42, 3 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-2-yl]methanol is sourced from PubChem (CID 60685083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).