2-(piperidin-3-ylmethylamino)ethyl carbamate

C9H19N3O2 — CID 83211184

IUPAC2-(piperidin-3-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCC1CCCNC1
InChIInChI=1S/C9H19N3O2/c10-9(13)14-5-4-12-7-8-2-1-3-11-6-8/h8,11-12H,1-7H2,(H2,10,13)
InChIKeyVYKIWDKNJBWNBO-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.33
Rot. Bonds5

About 2-(piperidin-3-ylmethylamino)ethyl carbamate

2-(piperidin-3-ylmethylamino)ethyl carbamate (PubChem CID 83211184) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(piperidin-3-ylmethylamino)ethyl carbamate
PubChem CID83211184
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(piperidin-3-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCC1CCCNC1
InChIInChI=1S/C9H19N3O2/c10-9(13)14-5-4-12-7-8-2-1-3-11-6-8/h8,11-12H,1-7H2,(H2,10,13)
InChIKeyVYKIWDKNJBWNBO-UHFFFAOYSA-N
XLogP-0.33
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
N-(2-methoxyethoxy)-2-piperidin-3-ylacetamide
CID 82722940
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856
N-cyclopropyl-2-(piperidin-3-ylmethylamino)acetamide
CID 80553600

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethylamino)ethyl carbamate?
The IUPAC name of 2-(piperidin-3-ylmethylamino)ethyl carbamate (CID 83211184) is 2-(piperidin-3-ylmethylamino)ethyl carbamate.
What is the SMILES notation for 2-(piperidin-3-ylmethylamino)ethyl carbamate?
The canonical SMILES for 2-(piperidin-3-ylmethylamino)ethyl carbamate is NC(=O)OCCNCC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylmethylamino)ethyl carbamate?
The InChIKey is VYKIWDKNJBWNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(13)14-5-4-12-7-8-2-1-3-11-6-8/h8,11-12H,1-7H2,(H2,10,13).
What are the key properties of 2-(piperidin-3-ylmethylamino)ethyl carbamate?
2-(piperidin-3-ylmethylamino)ethyl carbamate has a molecular weight of 201.27 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethylamino)ethyl carbamate is sourced from PubChem (CID 83211184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).