1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid

C16H23NO3 — CID 65065108

IUPAC1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-2-7-16(15(19)20)8-10-17(11-9-16)12-13-3-5-14(18)6-4-13/h3-6,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyKUIGXVYAMIKXHE-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.86
Rot. Bonds5

About 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid

1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 65065108) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID65065108
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-2-7-16(15(19)20)8-10-17(11-9-16)12-13-3-5-14(18)6-4-13/h3-6,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyKUIGXVYAMIKXHE-UHFFFAOYSA-N
XLogP2.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064671
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064522
1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125102
1-[(3,4-dichlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148676
1-[(6-fluorooxynaphthalen-2-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 146646538
1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 63127117
1-[(3-chloro-4-fluorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 81156835
1-[(4-bromo-3-fluorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 81440690
1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126776
1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 115529610
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid (CID 65065108) is 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is KUIGXVYAMIKXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-7-16(15(19)20)8-10-17(11-9-16)12-13-3-5-14(18)6-4-13/h3-6,18H,2,7-12H2,1H3,(H,19,20).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid?
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65065108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).