4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol

C16H22N4O — CID 171388657

IUPAC4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(CCc2cccnc2)CC1
InChIInChI=1S/C16H22N4O/c21-16(13-20-11-7-18-14-20)4-9-19(10-5-16)8-3-15-2-1-6-17-12-15/h1-2,6-7,11-12,14,21H,3-5,8-10,13H2
InChIKeyLTUSKZYMAMBICV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.35
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol (PubChem CID 171388657) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
PubChem CID171388657
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(CCc2cccnc2)CC1
InChIInChI=1S/C16H22N4O/c21-16(13-20-11-7-18-14-20)4-9-19(10-5-16)8-3-15-2-1-6-17-12-15/h1-2,6-7,11-12,14,21H,3-5,8-10,13H2
InChIKeyLTUSKZYMAMBICV-UHFFFAOYSA-N
XLogP1.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
CID 171913881
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
CID 114284152
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
CID 74251154
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
4-(imidazol-1-ylmethyl)oxan-4-ol
CID 126856777
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125003770
N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
CID 77011852
7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane
CID 134406396
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol (CID 171388657) is 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol is OC1(Cn2ccnc2)CCN(CCc2cccnc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol?
The InChIKey is LTUSKZYMAMBICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16(13-20-11-7-18-14-20)4-9-19(10-5-16)8-3-15-2-1-6-17-12-15/h1-2,6-7,11-12,14,21H,3-5,8-10,13H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol has a molecular weight of 286.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol is sourced from PubChem (CID 171388657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).