2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol

C17H28N2O2 — CID 111497039

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H28N2O2/c1-3-16(14-20)19-12-10-18(11-13-19)9-8-15-4-6-17(21-2)7-5-15/h4-7,16,20H,3,8-14H2,1-2H3
InChIKeyHZFQHDNLPSSLJJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.63
Rot. Bonds7

About 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol

2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol (PubChem CID 111497039) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
PubChem CID111497039
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H28N2O2/c1-3-16(14-20)19-12-10-18(11-13-19)9-8-15-4-6-17(21-2)7-5-15/h4-7,16,20H,3,8-14H2,1-2H3
InChIKeyHZFQHDNLPSSLJJ-UHFFFAOYSA-N
XLogP1.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine
CID 3064083
(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
CID 94797572
2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol
CID 111750561
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol
CID 97085468
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol (CID 111497039) is 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(CCc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol?
The InChIKey is HZFQHDNLPSSLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-16(14-20)19-12-10-18(11-13-19)9-8-15-4-6-17(21-2)7-5-15/h4-7,16,20H,3,8-14H2,1-2H3.
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol?
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111497039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).