lithium 1-(1-phenylbutyl)piperidine

C15H22LiN — CID 87565541

IUPAClithium 1-(1-phenylbutyl)piperidine
SMILES[CH2-]CCC(c1ccccc1)N1CCCCC1.[Li+]
InChIInChI=1S/C15H22N.Li/c1-2-9-15(14-10-5-3-6-11-14)16-12-7-4-8-13-16;/h3,5-6,10-11,15H,1-2,4,7-9,12-13H2;/q-1;+1
InChIKeyFRQURIMJYWRUFY-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.83
Rot. Bonds4

About lithium 1-(1-phenylbutyl)piperidine

lithium 1-(1-phenylbutyl)piperidine (PubChem CID 87565541) has the molecular formula C15H22LiN and a molecular weight of 223.29 g/mol. Its IUPAC name is lithium 1-(1-phenylbutyl)piperidine.

Molecular Properties

Compound Namelithium 1-(1-phenylbutyl)piperidine
PubChem CID87565541
Molecular FormulaC15H22LiN
Molecular Weight223.29 g/mol
Exact Mass223.19
IUPAC Namelithium 1-(1-phenylbutyl)piperidine
SMILES[CH2-]CCC(c1ccccc1)N1CCCCC1.[Li+]
InChIInChI=1S/C15H22N.Li/c1-2-9-15(14-10-5-3-6-11-14)16-12-7-4-8-13-16;/h3,5-6,10-11,15H,1-2,4,7-9,12-13H2;/q-1;+1
InChIKeyFRQURIMJYWRUFY-UHFFFAOYSA-N
XLogP0.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine
CID 141129080
2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
CID 146094450

Frequently Asked Questions

What is the IUPAC name of lithium 1-(1-phenylbutyl)piperidine?
The IUPAC name of lithium 1-(1-phenylbutyl)piperidine (CID 87565541) is lithium 1-(1-phenylbutyl)piperidine.
What is the SMILES notation for lithium 1-(1-phenylbutyl)piperidine?
The canonical SMILES for lithium 1-(1-phenylbutyl)piperidine is [CH2-]CCC(c1ccccc1)N1CCCCC1.[Li+].
What is the InChIKey of lithium 1-(1-phenylbutyl)piperidine?
The InChIKey is FRQURIMJYWRUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N.Li/c1-2-9-15(14-10-5-3-6-11-14)16-12-7-4-8-13-16;/h3,5-6,10-11,15H,1-2,4,7-9,12-13H2;/q-1;+1.
What are the key properties of lithium 1-(1-phenylbutyl)piperidine?
lithium 1-(1-phenylbutyl)piperidine has a molecular weight of 223.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(1-phenylbutyl)piperidine is sourced from PubChem (CID 87565541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).