benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate

C17H27N3O2 — CID 66566566

IUPACbenzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCCN(CCN)C1
InChIInChI=1S/C17H27N3O2/c1-2-20(16-9-6-11-19(13-16)12-10-18)17(21)22-14-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,18H2,1H3
InChIKeyAHPMNZWTROIHIK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.07
Rot. Bonds6

About benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate

benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate (PubChem CID 66566566) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
PubChem CID66566566
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Namebenzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCCN(CCN)C1
InChIInChI=1S/C17H27N3O2/c1-2-20(16-9-6-11-19(13-16)12-10-18)17(21)22-14-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,18H2,1H3
InChIKeyAHPMNZWTROIHIK-UHFFFAOYSA-N
XLogP2.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
CID 66566756
N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
CID 66567411
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
benzyl N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 77144103
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520
2-[(3S)-3-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66566908
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
CID 96553888
benzyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566579
benzyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553911

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate?
The IUPAC name of benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate (CID 66566566) is benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate.
What is the SMILES notation for benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate?
The canonical SMILES for benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate is CCN(C(=O)OCc1ccccc1)C1CCCN(CCN)C1.
What is the InChIKey of benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate?
The InChIKey is AHPMNZWTROIHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-20(16-9-6-11-19(13-16)12-10-18)17(21)22-14-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,18H2,1H3.
What are the key properties of benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate?
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate is sourced from PubChem (CID 66566566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).