2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid

C16H23NO3 — CID 62496811

IUPAC2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
SMILESCCCOc1ccc(C(C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-12-20-14-8-6-13(7-9-14)15(16(18)19)17-10-4-3-5-11-17/h6-9,15H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyMDSQJOLYTPQYGZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds6

About 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid

2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid (PubChem CID 62496811) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
PubChem CID62496811
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
SMILESCCCOc1ccc(C(C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-12-20-14-8-6-13(7-9-14)15(16(18)19)17-10-4-3-5-11-17/h6-9,15H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyMDSQJOLYTPQYGZ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
2-(4-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)acetic acid
CID 83978656
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
(2R)-2-[4-(2-methoxyethoxy)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
CID 97208791
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethanethioamide
CID 84748593
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-2-(4-phenylmethoxyphenyl)acetic acid
CID 97198243
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid?
The IUPAC name of 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid (CID 62496811) is 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid.
What is the SMILES notation for 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid?
The canonical SMILES for 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid is CCCOc1ccc(C(C(=O)O)N2CCCCC2)cc1.
What is the InChIKey of 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid?
The InChIKey is MDSQJOLYTPQYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-12-20-14-8-6-13(7-9-14)15(16(18)19)17-10-4-3-5-11-17/h6-9,15H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid?
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid has a molecular weight of 277.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid is sourced from PubChem (CID 62496811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).