1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine

C16H26N2O — CID 54989682

IUPAC1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
SMILESCCCOC1CCCN(c2ccccc2C(C)N)C1
InChIInChI=1S/C16H26N2O/c1-3-11-19-14-7-6-10-18(12-14)16-9-5-4-8-15(16)13(2)17/h4-5,8-9,13-14H,3,6-7,10-12,17H2,1-2H3
InChIKeyTWWQZLYQPBCMOV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine

1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine (PubChem CID 54989682) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
PubChem CID54989682
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
SMILESCCCOC1CCCN(c2ccccc2C(C)N)C1
InChIInChI=1S/C16H26N2O/c1-3-11-19-14-7-6-10-18(12-14)16-9-5-4-8-15(16)13(2)17/h4-5,8-9,13-14H,3,6-7,10-12,17H2,1-2H3
InChIKeyTWWQZLYQPBCMOV-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine 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

(1R)-1-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 55183213
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 63787232
2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
CID 115992523
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623
1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol
CID 62910076
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
4-(3-propoxypiperidin-1-yl)-1H-pyrazol-5-amine
CID 82239108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine (CID 54989682) is 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine is CCCOC1CCCN(c2ccccc2C(C)N)C1.
What is the InChIKey of 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
The InChIKey is TWWQZLYQPBCMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-11-19-14-7-6-10-18(12-14)16-9-5-4-8-15(16)13(2)17/h4-5,8-9,13-14H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 54989682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).