3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine

C17H28N2O — CID 170868003

IUPAC3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine
SMILESCCOc1ccc(CCCN)cc1CN1CCCCC1
InChIInChI=1S/C17H28N2O/c1-2-20-17-9-8-15(7-6-10-18)13-16(17)14-19-11-4-3-5-12-19/h8-9,13H,2-7,10-12,14,18H2,1H3
InChIKeyVHTICFVCRQHJRC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.96
Rot. Bonds7

About 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine

3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine (PubChem CID 170868003) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine
PubChem CID170868003
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine
SMILESCCOc1ccc(CCCN)cc1CN1CCCCC1
InChIInChI=1S/C17H28N2O/c1-2-20-17-9-8-15(7-6-10-18)13-16(17)14-19-11-4-3-5-12-19/h8-9,13H,2-7,10-12,14,18H2,1H3
InChIKeyVHTICFVCRQHJRC-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515789
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
1-[(2-ethoxy-4,5-difluorophenyl)methyl]pyrrolidine;methanamine
CID 177027717
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160
3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 117311503
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 43259559
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine
CID 117337056

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine (CID 170868003) is 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine is CCOc1ccc(CCCN)cc1CN1CCCCC1.
What is the InChIKey of 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine?
The InChIKey is VHTICFVCRQHJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-20-17-9-8-15(7-6-10-18)13-16(17)14-19-11-4-3-5-12-19/h8-9,13H,2-7,10-12,14,18H2,1H3.
What are the key properties of 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine?
3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine is sourced from PubChem (CID 170868003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).