[2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol

C21H29FN4O — CID 46953573

IUPAC[2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc(F)c1N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H29FN4O/c1-24-10-9-23-21(24)20(27)17-7-4-8-18(22)19(17)26-13-11-25(12-14-26)15-16-5-2-3-6-16/h4,7-10,16,20,27H,2-3,5-6,11-15H2,1H3
InChIKeyLPBYFUASFYQBRA-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.95
Rot. Bonds5

About [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol

[2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 46953573) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID46953573
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name[2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc(F)c1N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H29FN4O/c1-24-10-9-23-21(24)20(27)17-7-4-8-18(22)19(17)26-13-11-25(12-14-26)15-16-5-2-3-6-16/h4,7-10,16,20,27H,2-3,5-6,11-15H2,1H3
InChIKeyLPBYFUASFYQBRA-UHFFFAOYSA-N
XLogP2.95
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol (CID 46953573) is [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)c1cccc(F)c1N1CCN(CC2CCCC2)CC1.
What is the InChIKey of [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is LPBYFUASFYQBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-24-10-9-23-21(24)20(27)17-7-4-8-18(22)19(17)26-13-11-25(12-14-26)15-16-5-2-3-6-16/h4,7-10,16,20,27H,2-3,5-6,11-15H2,1H3.
What are the key properties of [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
[2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 372.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 46953573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).