1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid

C15H29NO2 — CID 65064765

IUPAC1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(C)CC)CC1
InChIInChI=1S/C15H29NO2/c1-5-7-15(14(17)18)8-10-16(11-9-15)13(4)12(3)6-2/h12-13H,5-11H2,1-4H3,(H,17,18)
InChIKeyHQXOPXQPQLUIPR-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.39
Rot. Bonds6

About 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid

1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 65064765) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID65064765
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(C)CC)CC1
InChIInChI=1S/C15H29NO2/c1-5-7-15(14(17)18)8-10-16(11-9-15)13(4)12(3)6-2/h12-13H,5-11H2,1-4H3,(H,17,18)
InChIKeyHQXOPXQPQLUIPR-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-(2,6-dimethylheptan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 114866937
1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068653
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148720
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid (CID 65064765) is 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)C(C)CC)CC1.
What is the InChIKey of 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is HQXOPXQPQLUIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-15(14(17)18)8-10-16(11-9-15)13(4)12(3)6-2/h12-13H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid?
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 255.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65064765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).