4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol

C16H27N3O2 — CID 16789817

IUPAC4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
SMILESCCCN1CCN(C(CN)c2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C16H27N3O2/c1-3-6-18-7-9-19(10-8-18)14(12-17)13-4-5-15(20)16(11-13)21-2/h4-5,11,14,20H,3,6-10,12,17H2,1-2H3
InChIKeyKLOGSOVVWHOXSF-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.43
Rot. Bonds6

About 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol

4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol (PubChem CID 16789817) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
PubChem CID16789817
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
SMILESCCCN1CCN(C(CN)c2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C16H27N3O2/c1-3-6-18-7-9-19(10-8-18)14(12-17)13-4-5-15(20)16(11-13)21-2/h4-5,11,14,20H,3,6-10,12,17H2,1-2H3
InChIKeyKLOGSOVVWHOXSF-UHFFFAOYSA-N
XLogP1.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol
CID 16782188
2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 112540388
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
2-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581296
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171163905
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 83979728
4-[2-amino-1-(4-methylpiperazin-1-yl)ethyl]-2-bromo-6-methoxyphenol
CID 16789340
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol (CID 16789817) is 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol is CCCN1CCN(C(CN)c2ccc(O)c(OC)c2)CC1.
What is the InChIKey of 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol?
The InChIKey is KLOGSOVVWHOXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-6-18-7-9-19(10-8-18)14(12-17)13-4-5-15(20)16(11-13)21-2/h4-5,11,14,20H,3,6-10,12,17H2,1-2H3.
What are the key properties of 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol?
4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 16789817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).