(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine

C14H23N3O — CID 116939767

IUPAC(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
SMILESCCc1cc(C(N)N2CCNCC2)ccc1OC
InChIInChI=1S/C14H23N3O/c1-3-11-10-12(4-5-13(11)18-2)14(15)17-8-6-16-7-9-17/h4-5,10,14,16H,3,6-9,15H2,1-2H3
InChIKeyYBDYRTUSLXAXQU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.12
Rot. Bonds4

About (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine

(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine (PubChem CID 116939767) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
PubChem CID116939767
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
SMILESCCc1cc(C(N)N2CCNCC2)ccc1OC
InChIInChI=1S/C14H23N3O/c1-3-11-10-12(4-5-13(11)18-2)14(15)17-8-6-16-7-9-17/h4-5,10,14,16H,3,6-9,15H2,1-2H3
InChIKeyYBDYRTUSLXAXQU-UHFFFAOYSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
(3-ethyl-4-methoxyphenyl)-piperidin-4-ylmethanol
CID 82297068
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
CID 95480430
2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 116851315
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946740

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine?
The IUPAC name of (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine (CID 116939767) is (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine.
What is the SMILES notation for (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine?
The canonical SMILES for (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine is CCc1cc(C(N)N2CCNCC2)ccc1OC.
What is the InChIKey of (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine?
The InChIKey is YBDYRTUSLXAXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-11-10-12(4-5-13(11)18-2)14(15)17-8-6-16-7-9-17/h4-5,10,14,16H,3,6-9,15H2,1-2H3.
What are the key properties of (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine?
(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine is sourced from PubChem (CID 116939767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).