lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide

C21H27LiN2 — CID 132604880

IUPAClithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide
SMILESCC([N-]C(CN1CCCCC1)c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C21H27N2.Li/c1-18(19-11-5-2-6-12-19)22-21(20-13-7-3-8-14-20)17-23-15-9-4-10-16-23;/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3;/q-1;+1
InChIKeyJAJQVSDBMYPFKD-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.35
Rot. Bonds6

About lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide

lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide (PubChem CID 132604880) has the molecular formula C21H27LiN2 and a molecular weight of 314.40 g/mol. Its IUPAC name is lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide.

Molecular Properties

Compound Namelithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide
PubChem CID132604880
Molecular FormulaC21H27LiN2
Molecular Weight314.40 g/mol
Exact Mass314.23
IUPAC Namelithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide
SMILESCC([N-]C(CN1CCCCC1)c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C21H27N2.Li/c1-18(19-11-5-2-6-12-19)22-21(20-13-7-3-8-14-20)17-23-15-9-4-10-16-23;/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3;/q-1;+1
InChIKeyJAJQVSDBMYPFKD-UHFFFAOYSA-N
XLogP2.35
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide
CID 135040334
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
dilithium;bis[(1R)-1-phenylethyl]azanide;bromide
CID 135082056
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium
CID 87107185
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
1-[(2R)-3-ethyl-2-phenylpentyl]pyrrolidine
CID 71001431
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
CID 177487208
lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide
CID 102301951

Frequently Asked Questions

What is the IUPAC name of lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide?
The IUPAC name of lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide (CID 132604880) is lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide.
What is the SMILES notation for lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide?
The canonical SMILES for lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide is CC([N-]C(CN1CCCCC1)c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide?
The InChIKey is JAJQVSDBMYPFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N2.Li/c1-18(19-11-5-2-6-12-19)22-21(20-13-7-3-8-14-20)17-23-15-9-4-10-16-23;/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3;/q-1;+1.
What are the key properties of lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide?
lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide has a molecular weight of 314.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide is sourced from PubChem (CID 132604880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).