1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid

C16H23NO3 — CID 5233671

IUPAC1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(CN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-11-20-15-5-3-13(4-6-15)12-17-9-7-14(8-10-17)16(18)19/h3-6,14H,2,7-12H2,1H3,(H,18,19)
InChIKeyKAINKNPEDGBTLS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds6

About 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid

1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 5233671) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID5233671
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(CN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-11-20-15-5-3-13(4-6-15)12-17-9-7-14(8-10-17)16(18)19/h3-6,14H,2,7-12H2,1H3,(H,18,19)
InChIKeyKAINKNPEDGBTLS-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone
CID 134106072
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848362
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
1-[[6-[3-(4-chlorophenyl)propoxy]naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66853150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid (CID 5233671) is 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid is CCCOc1ccc(CN2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is KAINKNPEDGBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-11-20-15-5-3-13(4-6-15)12-17-9-7-14(8-10-17)16(18)19/h3-6,14H,2,7-12H2,1H3,(H,18,19).
What are the key properties of 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid?
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5233671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).