cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol

C22H32N4O — CID 122194237

IUPACcyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCN1CCC(Cn2cnc(C(O)(c3ccccc3)C3CCCCC3)n2)CC1
InChIInChI=1S/C22H32N4O/c1-25-14-12-18(13-15-25)16-26-17-23-21(24-26)22(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,17-18,20,27H,3,6-7,10-16H2,1H3
InChIKeyBCZILQQCQBJKKH-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.44
Rot. Bonds5

About cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol

cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol (PubChem CID 122194237) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Namecyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
PubChem CID122194237
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Namecyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCN1CCC(Cn2cnc(C(O)(c3ccccc3)C3CCCCC3)n2)CC1
InChIInChI=1S/C22H32N4O/c1-25-14-12-18(13-15-25)16-26-17-23-21(24-26)22(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,17-18,20,27H,3,6-7,10-16H2,1H3
InChIKeyBCZILQQCQBJKKH-UHFFFAOYSA-N
XLogP3.44
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The IUPAC name of cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol (CID 122194237) is cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol.
What is the SMILES notation for cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The canonical SMILES for cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol is CN1CCC(Cn2cnc(C(O)(c3ccccc3)C3CCCCC3)n2)CC1.
What is the InChIKey of cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The InChIKey is BCZILQQCQBJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-25-14-12-18(13-15-25)16-26-17-23-21(24-26)22(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,17-18,20,27H,3,6-7,10-16H2,1H3.
What are the key properties of cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol has a molecular weight of 368.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol is sourced from PubChem (CID 122194237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).