butyl 4-amino-3-phenylpiperidine-1-carboxylate

C16H24N2O2 — CID 155601155

IUPACbutyl 4-amino-3-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-2-3-11-20-16(19)18-10-9-15(17)14(12-18)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12,17H2,1H3
InChIKeyYDRSODDEZYMLBP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds4

About butyl 4-amino-3-phenylpiperidine-1-carboxylate

butyl 4-amino-3-phenylpiperidine-1-carboxylate (PubChem CID 155601155) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is butyl 4-amino-3-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-amino-3-phenylpiperidine-1-carboxylate
PubChem CID155601155
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebutyl 4-amino-3-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-2-3-11-20-16(19)18-10-9-15(17)14(12-18)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12,17H2,1H3
InChIKeyYDRSODDEZYMLBP-UHFFFAOYSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-butoxyethanone
CID 120748544
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
butyl 3-phenylpiperazine-1-carboxylate
CID 82246377
butyl (3S,4S)-3-hydroxy-4-(3-phenylpropyl)piperidine-1-carboxylate
CID 70214164
butyl 3-hydroxy-4-(3-phenylpropyl)piperidine-1-carboxylate
CID 70214162
butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 137371260
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
N-[2-[(3R,4S)-4-amino-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide;methane;sulfane
CID 158027672
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406
butyl 4-(4-aminophenyl)piperidine-1-carboxylate
CID 90886963

Frequently Asked Questions

What is the IUPAC name of butyl 4-amino-3-phenylpiperidine-1-carboxylate?
The IUPAC name of butyl 4-amino-3-phenylpiperidine-1-carboxylate (CID 155601155) is butyl 4-amino-3-phenylpiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-amino-3-phenylpiperidine-1-carboxylate?
The canonical SMILES for butyl 4-amino-3-phenylpiperidine-1-carboxylate is CCCCOC(=O)N1CCC(N)C(c2ccccc2)C1.
What is the InChIKey of butyl 4-amino-3-phenylpiperidine-1-carboxylate?
The InChIKey is YDRSODDEZYMLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-11-20-16(19)18-10-9-15(17)14(12-18)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12,17H2,1H3.
What are the key properties of butyl 4-amino-3-phenylpiperidine-1-carboxylate?
butyl 4-amino-3-phenylpiperidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-amino-3-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 155601155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).