3-ethoxy-N-(2-piperidin-1-ylethyl)aniline

C15H24N2O — CID 54807153

IUPAC3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
SMILESCCOc1cccc(NCCN2CCCCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-18-15-8-6-7-14(13-15)16-9-12-17-10-4-3-5-11-17/h6-8,13,16H,2-5,9-12H2,1H3
InChIKeyUNWNVUFJNLAVEN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds6

About 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline

3-ethoxy-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 54807153) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound Name3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
PubChem CID54807153
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
SMILESCCOc1cccc(NCCN2CCCCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-18-15-8-6-7-14(13-15)16-9-12-17-10-4-3-5-11-17/h6-8,13,16H,2-5,9-12H2,1H3
InChIKeyUNWNVUFJNLAVEN-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
N-[2-(azepan-1-yl)ethyl]-3-(3-methylbutoxy)aniline
CID 54806873
2-(azepan-1-yl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 60956669
3-ethoxy-N-propylaniline
CID 54800867
1-[3-(azepan-1-yl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 100616869
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline (CID 54807153) is 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline is CCOc1cccc(NCCN2CCCCC2)c1.
What is the InChIKey of 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is UNWNVUFJNLAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-15-8-6-7-14(13-15)16-9-12-17-10-4-3-5-11-17/h6-8,13,16H,2-5,9-12H2,1H3.
What are the key properties of 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline?
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 54807153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).