4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid

C14H26N2O2 — CID 22047732

IUPAC4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCN(CC1CCN(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-15(13-5-3-2-4-6-13)11-12-7-9-16(10-8-12)14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyKOJVSXUQLLYUAP-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.64
Rot. Bonds3

About 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid

4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 22047732) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID22047732
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCN(CC1CCN(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-15(13-5-3-2-4-6-13)11-12-7-9-16(10-8-12)14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyKOJVSXUQLLYUAP-UHFFFAOYSA-N
XLogP2.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
CID 174821287
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042998
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid (CID 22047732) is 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid is CN(CC1CCN(C(=O)O)CC1)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is KOJVSXUQLLYUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(13-5-3-2-4-6-13)11-12-7-9-16(10-8-12)14(17)18/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid?
4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22047732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).