phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate

C15H22N2O3 — CID 79736999

IUPACphenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
SMILESNCCCOC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c16-9-4-12-19-13-7-10-17(11-8-13)15(18)20-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12,16H2
InChIKeyXSQOCDJQSVTBJO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.02
Rot. Bonds5

About phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate

phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate (PubChem CID 79736999) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
PubChem CID79736999
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namephenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
SMILESNCCCOC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c16-9-4-12-19-13-7-10-17(11-8-13)15(18)20-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12,16H2
InChIKeyXSQOCDJQSVTBJO-UHFFFAOYSA-N
XLogP2.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
CID 89146038
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
CID 119662357
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
phenyl 4-(4-aminobutyl)piperazine-1-carboxylate
CID 43252406
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119663527
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate (CID 79736999) is phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate is NCCCOC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
The InChIKey is XSQOCDJQSVTBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-9-4-12-19-13-7-10-17(11-8-13)15(18)20-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12,16H2.
What are the key properties of phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 79736999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).