1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid

C14H25NO2 — CID 65068968

IUPAC1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC(C1CC1)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-3-12(11-6-7-11)15-9-5-8-14(4-2,10-15)13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyLQSPPTPSCNDXCI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds5

About 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid

1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 65068968) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID65068968
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC(C1CC1)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-3-12(11-6-7-11)15-9-5-8-14(4-2,10-15)13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyLQSPPTPSCNDXCI-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068729
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
1-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 114083038
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 63936052
1-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068446
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid (CID 65068968) is 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid is CCC(C1CC1)N1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is LQSPPTPSCNDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-12(11-6-7-11)15-9-5-8-14(4-2,10-15)13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid?
1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).