1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid

C16H21NO4 — CID 63125102

IUPAC1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H21NO4/c1-2-7-16(15(20)21)8-10-17(11-9-16)14(19)12-3-5-13(18)6-4-12/h3-6,18H,2,7-11H2,1H3,(H,20,21)
InChIKeyLQHPIPOHBPOYEH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds4

About 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid

1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125102) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125102
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H21NO4/c1-2-7-16(15(20)21)8-10-17(11-9-16)14(19)12-3-5-13(18)6-4-12/h3-6,18H,2,7-11H2,1H3,(H,20,21)
InChIKeyLQHPIPOHBPOYEH-UHFFFAOYSA-N
XLogP2.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125171
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
1-(4-bromo-3-fluorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146053
4-ethyl-1-(4-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125324
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125093
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125731

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid (CID 63125102) is 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is LQHPIPOHBPOYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-7-16(15(20)21)8-10-17(11-9-16)14(19)12-3-5-13(18)6-4-12/h3-6,18H,2,7-11H2,1H3,(H,20,21).
What are the key properties of 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).