aminomethyl N-piperidin-1-ylcarbamate

C7H15N3O2 — CID 154351217

IUPACaminomethyl N-piperidin-1-ylcarbamate
SMILESNCOC(=O)NN1CCCCC1
InChIInChI=1S/C7H15N3O2/c8-6-12-7(11)9-10-4-2-1-3-5-10/h1-6,8H2,(H,9,11)
InChIKeySYSDVYLKYRDPRG-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.03
Rot. Bonds2

About aminomethyl N-piperidin-1-ylcarbamate

aminomethyl N-piperidin-1-ylcarbamate (PubChem CID 154351217) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is aminomethyl N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Nameaminomethyl N-piperidin-1-ylcarbamate
PubChem CID154351217
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Nameaminomethyl N-piperidin-1-ylcarbamate
SMILESNCOC(=O)NN1CCCCC1
InChIInChI=1S/C7H15N3O2/c8-6-12-7(11)9-10-4-2-1-3-5-10/h1-6,8H2,(H,9,11)
InChIKeySYSDVYLKYRDPRG-UHFFFAOYSA-N
XLogP0.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-piperidin-1-ylcarbamate
CID 3770567
2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
3-amino-2-methyl-N-piperidin-1-ylpropanamide
CID 83014321
methyl N-aminocarbamate;methyl N-piperidin-1-ylcarbamate;pentanedial
CID 159366172
1,3-dipyrrolidin-1-ylurea
CID 140976479
pyrrolidin-1-ylurea;hydrate
CID 141393036
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
CID 155192910
ethyl N-piperazin-1-ylcarbamate
CID 13200156
N-pyrrolidin-1-ylacetamide
CID 22023174
N-(azepan-1-yl)butanamide
CID 67379865

Frequently Asked Questions

What is the IUPAC name of aminomethyl N-piperidin-1-ylcarbamate?
The IUPAC name of aminomethyl N-piperidin-1-ylcarbamate (CID 154351217) is aminomethyl N-piperidin-1-ylcarbamate.
What is the SMILES notation for aminomethyl N-piperidin-1-ylcarbamate?
The canonical SMILES for aminomethyl N-piperidin-1-ylcarbamate is NCOC(=O)NN1CCCCC1.
What is the InChIKey of aminomethyl N-piperidin-1-ylcarbamate?
The InChIKey is SYSDVYLKYRDPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-6-12-7(11)9-10-4-2-1-3-5-10/h1-6,8H2,(H,9,11).
What are the key properties of aminomethyl N-piperidin-1-ylcarbamate?
aminomethyl N-piperidin-1-ylcarbamate has a molecular weight of 173.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl N-piperidin-1-ylcarbamate is sourced from PubChem (CID 154351217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).