4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol

C15H23ClN2O — CID 82976879

IUPAC4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
SMILESCC(C)N1CCN(C(C)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C15H23ClN2O/c1-11(2)17-6-8-18(9-7-17)12(3)14-10-13(16)4-5-15(14)19/h4-5,10-12,19H,6-9H2,1-3H3
InChIKeyUCEVPLCVPWSWMN-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol

4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol (PubChem CID 82976879) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
PubChem CID82976879
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
SMILESCC(C)N1CCN(C(C)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C15H23ClN2O/c1-11(2)17-6-8-18(9-7-17)12(3)14-10-13(16)4-5-15(14)19/h4-5,10-12,19H,6-9H2,1-3H3
InChIKeyUCEVPLCVPWSWMN-UHFFFAOYSA-N
XLogP3.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(1-piperidin-1-ylethyl)phenol
CID 82977404
4-chloro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82975278
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-4-chlorophenol
CID 82980108
4-chloro-2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82980127
4-chloro-2-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]phenol
CID 102972079
4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol
CID 82974210
4-chloro-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 82975216
4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol
CID 82974788
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-4-chlorophenol
CID 82982851
4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol
CID 82974404
4-bromo-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974943

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol (CID 82976879) is 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol is CC(C)N1CCN(C(C)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol?
The InChIKey is UCEVPLCVPWSWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(2)17-6-8-18(9-7-17)12(3)14-10-13(16)4-5-15(14)19/h4-5,10-12,19H,6-9H2,1-3H3.
What are the key properties of 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol?
4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol has a molecular weight of 282.82 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol is sourced from PubChem (CID 82976879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).