sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride

C20H25N2NaO2 — CID 173365914

IUPACsodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
SMILESO=C(O)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1.[H-].[Na+]
InChIInChI=1S/C20H24N2O2.Na.H/c23-19(24)20(21-18-9-5-2-6-10-18)12-15-22(16-13-20)14-11-17-7-3-1-4-8-17;;/h1-10,21H,11-16H2,(H,23,24);;/q;+1;-1
InChIKeyNBPLEWXDHORJFP-UHFFFAOYSA-N
MW348.42 g/mol
LogP0.38
Rot. Bonds6

About sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride

sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride (PubChem CID 173365914) has the molecular formula C20H25N2NaO2 and a molecular weight of 348.42 g/mol. Its IUPAC name is sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
PubChem CID173365914
Molecular FormulaC20H25N2NaO2
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Namesodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
SMILESO=C(O)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1.[H-].[Na+]
InChIInChI=1S/C20H24N2O2.Na.H/c23-19(24)20(21-18-9-5-2-6-10-18)12-15-22(16-13-20)14-11-17-7-3-1-4-8-17;;/h1-10,21H,11-16H2,(H,23,24);;/q;+1;-1
InChIKeyNBPLEWXDHORJFP-UHFFFAOYSA-N
XLogP0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate
CID 11727462
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
4-(cyclopropylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 60792929
1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 122556302
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
CID 60992852
3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
CID 171692325

Frequently Asked Questions

What is the IUPAC name of sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride?
The IUPAC name of sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride (CID 173365914) is sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride.
What is the SMILES notation for sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride?
The canonical SMILES for sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride is O=C(O)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1.[H-].[Na+].
What is the InChIKey of sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride?
The InChIKey is NBPLEWXDHORJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.Na.H/c23-19(24)20(21-18-9-5-2-6-10-18)12-15-22(16-13-20)14-11-17-7-3-1-4-8-17;;/h1-10,21H,11-16H2,(H,23,24);;/q;+1;-1.
What are the key properties of sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride?
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride has a molecular weight of 348.42 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride is sourced from PubChem (CID 173365914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).