(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine

C16H26N2O2 — CID 104977061

IUPAC(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
SMILESCCCOc1ccc(OCCN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-3-11-19-15-4-6-16(7-5-15)20-12-10-18-9-8-17-14(2)13-18/h4-7,14,17H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyJFWFFDMKJBECAV-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.15
Rot. Bonds7

About (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine

(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine (PubChem CID 104977061) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
PubChem CID104977061
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
SMILESCCCOc1ccc(OCCN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-3-11-19-15-4-6-16(7-5-15)20-12-10-18-9-8-17-14(2)13-18/h4-7,14,17H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyJFWFFDMKJBECAV-AWEZNQCLSA-N
XLogP2.15
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine 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

1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
CID 64832801
3-methyl-1-(4-propoxyphenyl)-1,4-diazepane
CID 64950754
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine (CID 104977061) is (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine is CCCOc1ccc(OCCN2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
The InChIKey is JFWFFDMKJBECAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-11-19-15-4-6-16(7-5-15)20-12-10-18-9-8-17-14(2)13-18/h4-7,14,17H,3,8-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine has a molecular weight of 278.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine is sourced from PubChem (CID 104977061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).