1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid

C20H29NO3 — CID 122040637

IUPAC1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cccc(OCC3CCCCC3)c2)C1
InChIInChI=1S/C20H29NO3/c22-20(23)18-9-5-11-21(14-18)13-17-8-4-10-19(12-17)24-15-16-6-2-1-3-7-16/h4,8,10,12,16,18H,1-3,5-7,9,11,13-15H2,(H,22,23)
InChIKeyDRDVXOIXYZXBEA-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.94
Rot. Bonds6

About 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid

1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 122040637) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID122040637
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cccc(OCC3CCCCC3)c2)C1
InChIInChI=1S/C20H29NO3/c22-20(23)18-9-5-11-21(14-18)13-17-8-4-10-19(12-17)24-15-16-6-2-1-3-7-16/h4,8,10,12,16,18H,1-3,5-7,9,11,13-15H2,(H,22,23)
InChIKeyDRDVXOIXYZXBEA-UHFFFAOYSA-N
XLogP3.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440
1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 4016440
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
(2R,3R)-1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124794
azepan-1-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90484118
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
2-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171908907
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
1-[[3-(cyanomethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 82135611
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043592
1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930778

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid (CID 122040637) is 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2cccc(OCC3CCCCC3)c2)C1.
What is the InChIKey of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is DRDVXOIXYZXBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-20(23)18-9-5-11-21(14-18)13-17-8-4-10-19(12-17)24-15-16-6-2-1-3-7-16/h4,8,10,12,16,18H,1-3,5-7,9,11,13-15H2,(H,22,23).
What are the key properties of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122040637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).