4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol

C16H22N4O — CID 74251154

IUPAC4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
SMILESCc1cccc(CN2CCC(O)(Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H22N4O/c1-14-3-2-4-15(18-14)11-19-8-5-16(21,6-9-19)12-20-10-7-17-13-20/h2-4,7,10,13,21H,5-6,8-9,11-12H2,1H3
InChIKeyXJGMAVKGIWBXKB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.61
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol (PubChem CID 74251154) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
PubChem CID74251154
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
SMILESCc1cccc(CN2CCC(O)(Cn3ccnc3)CC2)n1
InChIInChI=1S/C16H22N4O/c1-14-3-2-4-15(18-14)11-19-8-5-16(21,6-9-19)12-20-10-7-17-13-20/h2-4,7,10,13,21H,5-6,8-9,11-12H2,1H3
InChIKeyXJGMAVKGIWBXKB-UHFFFAOYSA-N
XLogP1.61
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 56861269
4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol
CID 74242460
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
CID 171388657
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107161936
1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 74233807
8-[(6-methyl-2-pyridinyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449503
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
(3S,4S)-4-methyl-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163310131
4-(imidazol-1-ylmethyl)oxan-4-ol
CID 126856777

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol (CID 74251154) is 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol is Cc1cccc(CN2CCC(O)(Cn3ccnc3)CC2)n1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
The InChIKey is XJGMAVKGIWBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-14-3-2-4-15(18-14)11-19-8-5-16(21,6-9-19)12-20-10-7-17-13-20/h2-4,7,10,13,21H,5-6,8-9,11-12H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol has a molecular weight of 286.38 g/mol, XLogP of 1.61, 4 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-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol is sourced from PubChem (CID 74251154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).