[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol

C16H23ClN2O2 — CID 62270372

IUPAC[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol
SMILESOCC1(CN2CCN(c3cccc(Cl)c3)CC2)CCOC1
InChIInChI=1S/C16H23ClN2O2/c17-14-2-1-3-15(10-14)19-7-5-18(6-8-19)11-16(12-20)4-9-21-13-16/h1-3,10,20H,4-9,11-13H2
InChIKeyKLQCKIYGLPONRT-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.86
Rot. Bonds4

About [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol

[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol (PubChem CID 62270372) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol
PubChem CID62270372
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol
SMILESOCC1(CN2CCN(c3cccc(Cl)c3)CC2)CCOC1
InChIInChI=1S/C16H23ClN2O2/c17-14-2-1-3-15(10-14)19-7-5-18(6-8-19)11-16(12-20)4-9-21-13-16/h1-3,10,20H,4-9,11-13H2
InChIKeyKLQCKIYGLPONRT-UHFFFAOYSA-N
XLogP1.86
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 115295298
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270019
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-enoic acid
CID 76940624

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol (CID 62270372) is [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol is OCC1(CN2CCN(c3cccc(Cl)c3)CC2)CCOC1.
What is the InChIKey of [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol?
The InChIKey is KLQCKIYGLPONRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-14-2-1-3-15(10-14)19-7-5-18(6-8-19)11-16(12-20)4-9-21-13-16/h1-3,10,20H,4-9,11-13H2.
What are the key properties of [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol?
[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol has a molecular weight of 310.82 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 62270372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).