1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid

C17H25NO3 — CID 65056333

IUPAC1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(C(C)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)21-16-6-4-14(5-7-16)13(3)18-10-8-15(9-11-18)17(19)20/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyKOTBAXZIWUJBIH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.33
Rot. Bonds5

About 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid

1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 65056333) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
PubChem CID65056333
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(C(C)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)21-16-6-4-14(5-7-16)13(3)18-10-8-15(9-11-18)17(19)20/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyKOTBAXZIWUJBIH-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid
CID 119907237
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066703
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 4309568
propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
CID 20754611
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-[1-oxo-1-(4-propan-2-ylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 82026436
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
CID 47524579
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090893

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid (CID 65056333) is 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid is CC(C)Oc1ccc(C(C)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is KOTBAXZIWUJBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)21-16-6-4-14(5-7-16)13(3)18-10-8-15(9-11-18)17(19)20/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid?
1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65056333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).