4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid

C30H42N2O3 — CID 169082019

IUPAC4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid
SMILESCC1CC(OCCC2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC(C)N1C(=O)O
InChIInChI=1S/C30H42N2O3/c1-23-19-29(20-24(2)32(23)30(33)34)35-18-17-25-13-15-28(16-14-25)31(21-26-9-5-3-6-10-26)22-27-11-7-4-8-12-27/h3-12,23-25,28-29H,13-22H2,1-2H3,(H,33,34)
InChIKeyVCXJFZYGUYVQAP-UHFFFAOYSA-N
MW478.68 g/mol
LogP6.57
Rot. Bonds9

About 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid

4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid (PubChem CID 169082019) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid
PubChem CID169082019
Molecular FormulaC30H42N2O3
Molecular Weight478.68 g/mol
Exact Mass478.32
IUPAC Name4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid
SMILESCC1CC(OCCC2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC(C)N1C(=O)O
InChIInChI=1S/C30H42N2O3/c1-23-19-29(20-24(2)32(23)30(33)34)35-18-17-25-13-15-28(16-14-25)31(21-26-9-5-3-6-10-26)22-27-11-7-4-8-12-27/h3-12,23-25,28-29H,13-22H2,1-2H3,(H,33,34)
InChIKeyVCXJFZYGUYVQAP-UHFFFAOYSA-N
XLogP6.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone
CID 139369144
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
[4-(dibenzylamino)cyclohexyl] benzoate
CID 58137959
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
CID 129247626
2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
CID 165107328
N,N-dibenzylcyclobutanamine
CID 70822586
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
[(4S)-4-(dibenzylamino)-2-methylcyclohexyl]carbamic acid
CID 89477255
4-(dibenzylamino)-1-methylcyclohexane-1-carboxylic acid
CID 171314831

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid (CID 169082019) is 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid is CC1CC(OCCC2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC(C)N1C(=O)O.
What is the InChIKey of 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid?
The InChIKey is VCXJFZYGUYVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O3/c1-23-19-29(20-24(2)32(23)30(33)34)35-18-17-25-13-15-28(16-14-25)31(21-26-9-5-3-6-10-26)22-27-11-7-4-8-12-27/h3-12,23-25,28-29H,13-22H2,1-2H3,(H,33,34).
What are the key properties of 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid?
4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid has a molecular weight of 478.68 g/mol, XLogP of 6.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(dibenzylamino)cyclohexyl]ethoxy]-2,6-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 169082019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).