butyl 4-(4-aminophenyl)piperidine-1-carboxylate

C16H24N2O2 — CID 90886963

IUPACbutyl 4-(4-aminophenyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-12-20-16(19)18-10-8-14(9-11-18)13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12,17H2,1H3
InChIKeyNMQSMIXMAKTEHG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.38
Rot. Bonds4

About butyl 4-(4-aminophenyl)piperidine-1-carboxylate

butyl 4-(4-aminophenyl)piperidine-1-carboxylate (PubChem CID 90886963) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is butyl 4-(4-aminophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(4-aminophenyl)piperidine-1-carboxylate
PubChem CID90886963
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebutyl 4-(4-aminophenyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-12-20-16(19)18-10-8-14(9-11-18)13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12,17H2,1H3
InChIKeyNMQSMIXMAKTEHG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl aziridine-1-carboxylate
CID 12641
butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 151208440
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 4-(5-amino-4-fluoro-2-methylphenyl)piperidine-1-carboxylate
CID 69116229
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153154771
butyl 4-(4-amino-2-methoxyphenyl)piperazine-1-carboxylate
CID 118164469
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 66712036
butyl 4-amino-3-phenylpiperidine-1-carboxylate
CID 155601155

Frequently Asked Questions

What is the IUPAC name of butyl 4-(4-aminophenyl)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(4-aminophenyl)piperidine-1-carboxylate (CID 90886963) is butyl 4-(4-aminophenyl)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(4-aminophenyl)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(4-aminophenyl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of butyl 4-(4-aminophenyl)piperidine-1-carboxylate?
The InChIKey is NMQSMIXMAKTEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-12-20-16(19)18-10-8-14(9-11-18)13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12,17H2,1H3.
What are the key properties of butyl 4-(4-aminophenyl)piperidine-1-carboxylate?
butyl 4-(4-aminophenyl)piperidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(4-aminophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 90886963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).