3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid

C17H25NO3 — CID 63137224

IUPAC3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CCCOc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-2-17(16(19)20)10-6-11-18(14-17)12-7-13-21-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3,(H,19,20)
InChIKeyGQFRDAPDTOOGFS-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.03
Rot. Bonds7

About 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid

3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid (PubChem CID 63137224) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
PubChem CID63137224
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CCCOc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-2-17(16(19)20)10-6-11-18(14-17)12-7-13-21-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3,(H,19,20)
InChIKeyGQFRDAPDTOOGFS-UHFFFAOYSA-N
XLogP3.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.03
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

1-[2-(3-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137041
1-[2-(2-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136958
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 76986276
3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56890846
2-[[(3S)-3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]amino]acetic acid
CID 129324019
1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137008
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651
3-ethyl-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65069026

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid (CID 63137224) is 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(CCCOc2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid?
The InChIKey is GQFRDAPDTOOGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-17(16(19)20)10-6-11-18(14-17)12-7-13-21-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid?
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63137224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).