2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol

C22H32N4O — CID 72909716

IUPAC2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol
SMILESCN1CCC(Cc2nc(C3(c4ccccc4)CCCC3)n(CCO)n2)CC1
InChIInChI=1S/C22H32N4O/c1-25-13-9-18(10-14-25)17-20-23-21(26(24-20)15-16-27)22(11-5-6-12-22)19-7-3-2-4-8-19/h2-4,7-8,18,27H,5-6,9-17H2,1H3
InChIKeyGQHORBKGMICAGQ-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.01
Rot. Bonds6

About 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol

2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 72909716) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID72909716
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol
SMILESCN1CCC(Cc2nc(C3(c4ccccc4)CCCC3)n(CCO)n2)CC1
InChIInChI=1S/C22H32N4O/c1-25-13-9-18(10-14-25)17-20-23-21(26(24-20)15-16-27)22(11-5-6-12-22)19-7-3-2-4-8-19/h2-4,7-8,18,27H,5-6,9-17H2,1H3
InChIKeyGQHORBKGMICAGQ-UHFFFAOYSA-N
XLogP3.01
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol (CID 72909716) is 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol is CN1CCC(Cc2nc(C3(c4ccccc4)CCCC3)n(CCO)n2)CC1.
What is the InChIKey of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is GQHORBKGMICAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-25-13-9-18(10-14-25)17-20-23-21(26(24-20)15-16-27)22(11-5-6-12-22)19-7-3-2-4-8-19/h2-4,7-8,18,27H,5-6,9-17H2,1H3.
What are the key properties of 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol?
2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 368.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpiperidin-4-yl)methyl]-5-(1-phenylcyclopentyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72909716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).