2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid

C19H28N2O2 — CID 59590179

IUPAC2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(C2CCCCC2c2ccccc2)CCN1CC(=O)O
InChIInChI=1S/C19H28N2O2/c1-15-13-21(12-11-20(15)14-19(22)23)18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3,(H,22,23)/t15-,17?,18?/m1/s1
InChIKeyAZNUVEPHKCBUTR-FAEJEUNOSA-N
MW316.44 g/mol
LogP2.80
Rot. Bonds4

About 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid

2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid (PubChem CID 59590179) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid
PubChem CID59590179
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(C2CCCCC2c2ccccc2)CCN1CC(=O)O
InChIInChI=1S/C19H28N2O2/c1-15-13-21(12-11-20(15)14-19(22)23)18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3,(H,22,23)/t15-,17?,18?/m1/s1
InChIKeyAZNUVEPHKCBUTR-FAEJEUNOSA-N
XLogP2.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
N-methyl-1-(2-phenylcyclohexyl)pyrrolidin-3-amine
CID 105402237
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)acetic acid
CID 119137919
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
1-(2-phenylcyclohexyl)piperidin-3-amine
CID 105402048
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium
CID 161086526
2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;2-[(2S)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;methane;bis(rhodium)
CID 161273691
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide
CID 163920403
2-(5-methyl-2-phenylmorpholin-4-yl)acetic acid
CID 119135239

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid (CID 59590179) is 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid is C[C@@H]1CN(C2CCCCC2c2ccccc2)CCN1CC(=O)O.
What is the InChIKey of 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid?
The InChIKey is AZNUVEPHKCBUTR-FAEJEUNOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-13-21(12-11-20(15)14-19(22)23)18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3,(H,22,23)/t15-,17?,18?/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid?
2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid has a molecular weight of 316.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 59590179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).