4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

C23H29NO3 — CID 22126246

IUPAC4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCCCC2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C23H29NO3/c25-23(26)24-13-12-21(19-7-2-1-3-8-19)22(15-24)27-16-17-10-11-18-6-4-5-9-20(18)14-17/h4-6,9-11,14,19,21-22H,1-3,7-8,12-13,15-16H2,(H,25,26)
InChIKeyOVADVZVMJGPKAT-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.31
Rot. Bonds4

About 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (PubChem CID 22126246) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
PubChem CID22126246
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCCCC2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C23H29NO3/c25-23(26)24-13-12-21(19-7-2-1-3-8-19)22(15-24)27-16-17-10-11-18-6-4-5-9-20(18)14-17/h4-6,9-11,14,19,21-22H,1-3,7-8,12-13,15-16H2,(H,25,26)
InChIKeyOVADVZVMJGPKAT-UHFFFAOYSA-N
XLogP5.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22128667
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829
3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]piperidine-1-carboxylic acid
CID 22126336
2-(cyclohexyloxymethyl)naphthalene
CID 10705229
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
3-[[7-[(dimethylamino)methyl]naphthalen-2-yl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid
CID 22128195
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353
3-(naphthalen-2-ylmethoxy)-4-[3-[3-(pyridin-2-ylcarbamoyloxy)propoxy]phenyl]piperidine-1-carboxylic acid
CID 22128891
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
2-[4-[(2-chlorobenzoyl)oxymethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22126347
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (CID 22126246) is 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(C2CCCCC2)C(OCc2ccc3ccccc3c2)C1.
What is the InChIKey of 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The InChIKey is OVADVZVMJGPKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-23(26)24-13-12-21(19-7-2-1-3-8-19)22(15-24)27-16-17-10-11-18-6-4-5-9-20(18)14-17/h4-6,9-11,14,19,21-22H,1-3,7-8,12-13,15-16H2,(H,25,26).
What are the key properties of 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid has a molecular weight of 367.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 22126246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).