1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol

C16H22N4O — CID 111825492

IUPAC1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H22N4O/c1-13(21)15-4-2-3-8-19(15)11-14-5-6-16(18-10-14)20-9-7-17-12-20/h5-7,9-10,12-13,15,21H,2-4,8,11H2,1H3
InChIKeyBHTKNUMTCSXDSB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.00
Rot. Bonds4

About 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol

1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol (PubChem CID 111825492) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol
PubChem CID111825492
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H22N4O/c1-13(21)15-4-2-3-8-19(15)11-14-5-6-16(18-10-14)20-9-7-17-12-20/h5-7,9-10,12-13,15,21H,2-4,8,11H2,1H3
InChIKeyBHTKNUMTCSXDSB-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol (CID 111825492) is 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol is CC(O)C1CCCCN1Cc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is BHTKNUMTCSXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(21)15-4-2-3-8-19(15)11-14-5-6-16(18-10-14)20-9-7-17-12-20/h5-7,9-10,12-13,15,21H,2-4,8,11H2,1H3.
What are the key properties of 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol?
1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).