1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol

C16H25ClN2O — CID 114539808

IUPAC1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccc(Cl)cc2)CC(C)N1C
InChIInChI=1S/C16H25ClN2O/c1-12-10-19(11-13(2)18(12)3)9-8-16(20)14-4-6-15(17)7-5-14/h4-7,12-13,16,20H,8-11H2,1-3H3
InChIKeyUQZVXWCNKNNQGU-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol

1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol (PubChem CID 114539808) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
PubChem CID114539808
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccc(Cl)cc2)CC(C)N1C
InChIInChI=1S/C16H25ClN2O/c1-12-10-19(11-13(2)18(12)3)9-8-16(20)14-4-6-15(17)7-5-14/h4-7,12-13,16,20H,8-11H2,1-3H3
InChIKeyUQZVXWCNKNNQGU-UHFFFAOYSA-N
XLogP2.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 62644931
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
CID 82073439
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 82065379
1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 62628976
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol (CID 114539808) is 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol is CC1CN(CCC(O)c2ccc(Cl)cc2)CC(C)N1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
The InChIKey is UQZVXWCNKNNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12-10-19(11-13(2)18(12)3)9-8-16(20)14-4-6-15(17)7-5-14/h4-7,12-13,16,20H,8-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol has a molecular weight of 296.84 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 114539808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).