(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid

C14H26N2O3 — CID 175485244

IUPAC(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid
SMILESCOC[C@H]1CN(C(=O)O)CCN1CC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-19-11-13-10-16(14(17)18)8-7-15(13)9-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyMWCKQPNKXZNVSE-CYBMUJFWSA-N
MW270.37 g/mol
LogP1.88
Rot. Bonds4

About (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid

(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid (PubChem CID 175485244) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid
PubChem CID175485244
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid
SMILESCOC[C@H]1CN(C(=O)O)CCN1CC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-19-11-13-10-16(14(17)18)8-7-15(13)9-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyMWCKQPNKXZNVSE-CYBMUJFWSA-N
XLogP1.88
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid
CID 174172845
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
[(3R)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95896526
2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide
CID 170758306
3-(methoxymethyl)azepane-1-carboxamide
CID 130671584
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786041
(3R)-3-(difluoromethyl)-4-(oxan-4-ylmethyl)piperazine-1-carboxylic acid
CID 174172869
3-(butanoyloxymethyl)piperidine-1-carboxylic acid
CID 19081025
4-cycloheptyl-3-methylpiperazine-1-carboxylic acid
CID 146188408
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine
CID 176725359

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid (CID 175485244) is (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid is COC[C@H]1CN(C(=O)O)CCN1CC1CCCCC1.
What is the InChIKey of (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid?
The InChIKey is MWCKQPNKXZNVSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-19-11-13-10-16(14(17)18)8-7-15(13)9-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid?
(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175485244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).