benzyl 4-(2-aminoethyl)piperidine-1-carboxylate

C15H22N2O2 — CID 22405759

IUPACbenzyl 4-(2-aminoethyl)piperidine-1-carboxylate
SMILESNCCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-9-6-13-7-10-17(11-8-13)15(18)19-12-14-4-2-1-3-5-14/h1-5,13H,6-12,16H2
InChIKeyNIACWPAOHOITHU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds4

About benzyl 4-(2-aminoethyl)piperidine-1-carboxylate

benzyl 4-(2-aminoethyl)piperidine-1-carboxylate (PubChem CID 22405759) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl 4-(2-aminoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-aminoethyl)piperidine-1-carboxylate
PubChem CID22405759
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl 4-(2-aminoethyl)piperidine-1-carboxylate
SMILESNCCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-9-6-13-7-10-17(11-8-13)15(18)19-12-14-4-2-1-3-5-14/h1-5,13H,6-12,16H2
InChIKeyNIACWPAOHOITHU-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
CID 18187454
benzyl 4-(3-hydrazinyl-3-oxopropyl)piperidine-1-carboxylate
CID 11335745
benzyl 4-(5-bromopentyl)piperidine-1-carboxylate
CID 58306239
benzyl 4-[2-(2-cyclohexylethyldisulfanyl)ethyl]piperidine-1-carboxylate
CID 167631664
benzyl 4-(3-aminosulfanyl-3-oxopropyl)piperidine-1-carboxylate
CID 18969275
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
benzyl 4-(2-benzylsulfonylethyl)piperidine-1-carboxylate
CID 171485073
benzyl 4-(2-acetylsulfanylethyl)piperidine-1-carboxylate
CID 146241929
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[2-(iodomethylsulfonyl)ethyl]piperidine-1-carboxylate
CID 89324891

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-aminoethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-aminoethyl)piperidine-1-carboxylate (CID 22405759) is benzyl 4-(2-aminoethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-aminoethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-aminoethyl)piperidine-1-carboxylate is NCCC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-aminoethyl)piperidine-1-carboxylate?
The InChIKey is NIACWPAOHOITHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-6-13-7-10-17(11-8-13)15(18)19-12-14-4-2-1-3-5-14/h1-5,13H,6-12,16H2.
What are the key properties of benzyl 4-(2-aminoethyl)piperidine-1-carboxylate?
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-aminoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 22405759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).