[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol

C14H23N3O — CID 97134124

IUPAC[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@]1(CC2CC2)CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C14H23N3O/c18-11-14(8-12-2-3-12)4-1-7-17(10-14)9-13-15-5-6-16-13/h5-6,12,18H,1-4,7-11H2,(H,15,16)/t14-/m1/s1
InChIKeyHRWKQKJEMZLMQS-CQSZACIVSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds5

About [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol

[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 97134124) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID97134124
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@]1(CC2CC2)CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C14H23N3O/c18-11-14(8-12-2-3-12)4-1-7-17(10-14)9-13-15-5-6-16-13/h5-6,12,18H,1-4,7-11H2,(H,15,16)/t14-/m1/s1
InChIKeyHRWKQKJEMZLMQS-CQSZACIVSA-N
XLogP1.78
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 45219253
3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 130679869
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 70730752
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
1-(1H-imidazol-2-ylmethyl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
CID 70717173
5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 97125856
7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130863312
[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 72923462

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol (CID 97134124) is [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol is OC[C@@]1(CC2CC2)CCCN(Cc2ncc[nH]2)C1.
What is the InChIKey of [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is HRWKQKJEMZLMQS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3O/c18-11-14(8-12-2-3-12)4-1-7-17(10-14)9-13-15-5-6-16-13/h5-6,12,18H,1-4,7-11H2,(H,15,16)/t14-/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol?
[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97134124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).