N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine

C16H26N2O — CID 54864978

IUPACN-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cccc(OCC)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-10-18-11-8-14(9-12-18)17-15-6-5-7-16(13-15)19-4-2/h5-7,13-14,17H,3-4,8-12H2,1-2H3
InChIKeyOEQZFAWJPSDUNQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.37
Rot. Bonds6

About N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine

N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine (PubChem CID 54864978) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
PubChem CID54864978
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cccc(OCC)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-10-18-11-8-14(9-12-18)17-15-6-5-7-16(13-15)19-4-2/h5-7,13-14,17H,3-4,8-12H2,1-2H3
InChIKeyOEQZFAWJPSDUNQ-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998847
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683
N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
CID 65072735
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(1-propylazepan-4-yl)quinolin-3-amine
CID 65074656

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine (CID 54864978) is N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cccc(OCC)c2)CC1.
What is the InChIKey of N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine?
The InChIKey is OEQZFAWJPSDUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-10-18-11-8-14(9-12-18)17-15-6-5-7-16(13-15)19-4-2/h5-7,13-14,17H,3-4,8-12H2,1-2H3.
What are the key properties of N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine?
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 54864978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).