3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine

C16H26N2O — CID 20567191

IUPAC3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
SMILESCC(c1cccc(OCCCN)c1)N1CCCCC1
InChIInChI=1S/C16H26N2O/c1-14(18-10-3-2-4-11-18)15-7-5-8-16(13-15)19-12-6-9-17/h5,7-8,13-14H,2-4,6,9-12,17H2,1H3
InChIKeyUHLFKWQPBVSWPH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds6

About 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine

3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine (PubChem CID 20567191) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
PubChem CID20567191
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
SMILESCC(c1cccc(OCCCN)c1)N1CCCCC1
InChIInChI=1S/C16H26N2O/c1-14(18-10-3-2-4-11-18)15-7-5-8-16(13-15)19-12-6-9-17/h5,7-8,13-14H,2-4,6,9-12,17H2,1H3
InChIKeyUHLFKWQPBVSWPH-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1-fluoroethyl)phenoxy]propan-1-amine
CID 115021072
N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide
CID 70532703
3-(3-piperidin-1-ylphenoxy)propan-1-amine
CID 19816119
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196
3-[3-[1-(1-hydroxypyrrolidin-1-ium-1-yl)ethyl]phenoxy]propan-1-amine
CID 20567131
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61212628
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine (CID 20567191) is 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine is CC(c1cccc(OCCCN)c1)N1CCCCC1.
What is the InChIKey of 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine?
The InChIKey is UHLFKWQPBVSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(18-10-3-2-4-11-18)15-7-5-8-16(13-15)19-12-6-9-17/h5,7-8,13-14H,2-4,6,9-12,17H2,1H3.
What are the key properties of 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine?
3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 20567191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).