1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid

C13H23NO2 — CID 63126976

IUPAC1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
SMILESC=C(C)CN1CCC(CCC)(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-4-5-13(12(15)16)6-8-14(9-7-13)10-11(2)3/h2,4-10H2,1,3H3,(H,15,16)
InChIKeySMHDYWAIVHOWSR-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.53
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid

1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126976) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126976
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
SMILESC=C(C)CN1CCC(CCC)(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-4-5-13(12(15)16)6-8-14(9-7-13)10-11(2)3/h2,4-10H2,1,3H3,(H,15,16)
InChIKeySMHDYWAIVHOWSR-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148411
1-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126994
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126933
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566328
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 63147684
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid (CID 63126976) is 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid is C=C(C)CN1CCC(CCC)(C(=O)O)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is SMHDYWAIVHOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-13(12(15)16)6-8-14(9-7-13)10-11(2)3/h2,4-10H2,1,3H3,(H,15,16).
What are the key properties of 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid?
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).