4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid

C17H31NO3 — CID 79422456

IUPAC4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(CCN2CCOCC2)(C(=O)O)CC1
InChIInChI=1S/C17H31NO3/c1-2-3-4-15-5-7-17(8-6-15,16(19)20)9-10-18-11-13-21-14-12-18/h15H,2-14H2,1H3,(H,19,20)
InChIKeyRAPBVLWOZRXELB-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.16
Rot. Bonds7

About 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid

4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid (PubChem CID 79422456) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid
PubChem CID79422456
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(CCN2CCOCC2)(C(=O)O)CC1
InChIInChI=1S/C17H31NO3/c1-2-3-4-15-5-7-17(8-6-15,16(19)20)9-10-18-11-13-21-14-12-18/h15H,2-14H2,1H3,(H,19,20)
InChIKeyRAPBVLWOZRXELB-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164
1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163
4-butyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79425349
4-butyl-1-pent-4-ynylcyclohexane-1-carboxylic acid
CID 113374220
4-butyl-1-hept-6-enylcyclohexane-1-carboxylic acid
CID 107007922
4-butyl-1-(ethoxymethyl)cyclohexane-1-carboxylic acid
CID 103984143
1-(3-hydroxypropyl)-4-propylcyclohexane-1-carboxylic acid
CID 79428368
4-butyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
CID 79425457
3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid
CID 79425835
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79424914
4-butyl-1-(cyclopropylmethoxymethyl)cyclohexane-1-carboxylic acid
CID 106930024
4-butyl-1-(2-methylpentyl)cyclohexane-1-carboxylic acid
CID 63402944

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid (CID 79422456) is 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid is CCCCC1CCC(CCN2CCOCC2)(C(=O)O)CC1.
What is the InChIKey of 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid?
The InChIKey is RAPBVLWOZRXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-3-4-15-5-7-17(8-6-15,16(19)20)9-10-18-11-13-21-14-12-18/h15H,2-14H2,1H3,(H,19,20).
What are the key properties of 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid?
4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid has a molecular weight of 297.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79422456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).