[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol

C13H19ClN2O — CID 83730119

IUPAC[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol
SMILESOCC1CN(CCc2cccc(Cl)c2)CCN1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-2-11(8-12)4-6-16-7-5-15-13(9-16)10-17/h1-3,8,13,15,17H,4-7,9-10H2
InChIKeySOCNGRNEXBZKCO-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.15
Rot. Bonds4

About [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol

[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol (PubChem CID 83730119) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol
PubChem CID83730119
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol
SMILESOCC1CN(CCc2cccc(Cl)c2)CCN1
InChIInChI=1S/C13H19ClN2O/c14-12-3-1-2-11(8-12)4-6-16-7-5-15-13(9-16)10-17/h1-3,8,13,15,17H,4-7,9-10H2
InChIKeySOCNGRNEXBZKCO-UHFFFAOYSA-N
XLogP1.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
CID 82243271
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
(3S)-1-[2-(3-chlorophenyl)ethyl]-3-[[4-[(1R)-1-methylsulfonylethyl]phenoxy]methyl]piperazine
CID 172620461
(3S)-1-[2-(3-chlorophenyl)ethyl]-3-[[4-[(1S)-1-methylsulfonylethyl]phenoxy]methyl]piperazine
CID 172620403
(3S)-3-[[4-(azetidin-3-ylsulfonyl)phenoxy]methyl]-1-[2-(3-chlorophenyl)ethyl]piperazine
CID 164906304
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
CID 107854185
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
[1-[2-(3-chlorophenyl)ethyl]-4-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanol
CID 172620464

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol?
The IUPAC name of [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol (CID 83730119) is [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol.
What is the SMILES notation for [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol?
The canonical SMILES for [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol is OCC1CN(CCc2cccc(Cl)c2)CCN1.
What is the InChIKey of [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol?
The InChIKey is SOCNGRNEXBZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-3-1-2-11(8-12)4-6-16-7-5-15-13(9-16)10-17/h1-3,8,13,15,17H,4-7,9-10H2.
What are the key properties of [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol?
[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol has a molecular weight of 254.76 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol is sourced from PubChem (CID 83730119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).