4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 106498506

IUPAC4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(O)CCC(C(=O)O)CC1)C1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-16(12-4-8-15-9-5-12)10-14(19)6-2-11(3-7-14)13(17)18/h11-12,15,19H,2-10H2,1H3,(H,17,18)
InChIKeyDNVICERPQOMDIY-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.68
Rot. Bonds4

About 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106498506) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID106498506
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(O)CCC(C(=O)O)CC1)C1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-16(12-4-8-15-9-5-12)10-14(19)6-2-11(3-7-14)13(17)18/h11-12,15,19H,2-10H2,1H3,(H,17,18)
InChIKeyDNVICERPQOMDIY-UHFFFAOYSA-N
XLogP0.68
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-4-ol
CID 55048858
4-[[azetidin-3-yl(methyl)amino]methyl]piperidin-4-ol
CID 126846975
4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498421
4-hydroxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498735
4-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498851
4-[[bis(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498497
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498637
4-[[cyclopentyl(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498797
1-[[(4-aminocyclohexyl)-methylamino]methyl]cyclopropan-1-ol
CID 172599097
4-hydroxy-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498837
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperidin-4-amine
CID 105414829

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 106498506) is 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid is CN(CC1(O)CCC(C(=O)O)CC1)C1CCNCC1.
What is the InChIKey of 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DNVICERPQOMDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(12-4-8-15-9-5-12)10-14(19)6-2-11(3-7-14)13(17)18/h11-12,15,19H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).