2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol

C18H28ClN3O — CID 754265

IUPAC2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H28ClN3O/c19-17-3-1-16(2-4-17)15-21-7-5-18(6-8-21)22-11-9-20(10-12-22)13-14-23/h1-4,18,23H,5-15H2
InChIKeyQJHFEQGGPFQJDE-UHFFFAOYSA-N
MW337.89 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 754265) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID754265
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H28ClN3O/c19-17-3-1-16(2-4-17)15-21-7-5-18(6-8-21)22-11-9-20(10-12-22)13-14-23/h1-4,18,23H,5-15H2
InChIKeyQJHFEQGGPFQJDE-UHFFFAOYSA-N
XLogP1.91
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine
CID 143255957
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one;formic acid
CID 154912823
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol (CID 754265) is 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is QJHFEQGGPFQJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c19-17-3-1-16(2-4-17)15-21-7-5-18(6-8-21)22-11-9-20(10-12-22)13-14-23/h1-4,18,23H,5-15H2.
What are the key properties of 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 337.89 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 754265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).