2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol

C18H28ClN3O — CID 23723656

IUPAC2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(C2CCN(c3cccc(Cl)c3)CC2)CC1CCO
InChIInChI=1S/C18H28ClN3O/c1-20-10-11-22(14-18(20)7-12-23)16-5-8-21(9-6-16)17-4-2-3-15(19)13-17/h2-4,13,16,18,23H,5-12,14H2,1H3
InChIKeyZRYCVXMUHVDEHL-UHFFFAOYSA-N
MW337.89 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol

2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 23723656) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol
PubChem CID23723656
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(C2CCN(c3cccc(Cl)c3)CC2)CC1CCO
InChIInChI=1S/C18H28ClN3O/c1-20-10-11-22(14-18(20)7-12-23)16-5-8-21(9-6-16)17-4-2-3-15(19)13-17/h2-4,13,16,18,23H,5-12,14H2,1H3
InChIKeyZRYCVXMUHVDEHL-UHFFFAOYSA-N
XLogP2.31
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol (CID 23723656) is 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(C2CCN(c3cccc(Cl)c3)CC2)CC1CCO.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is ZRYCVXMUHVDEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-20-10-11-22(14-18(20)7-12-23)16-5-8-21(9-6-16)17-4-2-3-15(19)13-17/h2-4,13,16,18,23H,5-12,14H2,1H3.
What are the key properties of 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 337.89 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)piperidin-4-yl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 23723656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).