methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate

C11H23N3O2 — CID 112543582

IUPACmethyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OC)CN(CCN)C1
InChIInChI=1S/C11H23N3O2/c1-3-9-6-10(13-11(15)16-2)8-14(7-9)5-4-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyOZGGESDPSJKBHX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.40
Rot. Bonds4

About methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate

methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate (PubChem CID 112543582) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
PubChem CID112543582
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namemethyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OC)CN(CCN)C1
InChIInChI=1S/C11H23N3O2/c1-3-9-6-10(13-11(15)16-2)8-14(7-9)5-4-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyOZGGESDPSJKBHX-UHFFFAOYSA-N
XLogP0.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587
methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543593
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543603
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate (CID 112543582) is methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate is CCC1CC(NC(=O)OC)CN(CCN)C1.
What is the InChIKey of methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate?
The InChIKey is OZGGESDPSJKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9-6-10(13-11(15)16-2)8-14(7-9)5-4-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate?
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).