benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride

C14H19ClN2O2 — CID 134819032

IUPACbenzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
SMILESCl.O=C(NC12CCNCC1C2)OCc1ccccc1
InChIInChI=1S/C14H18N2O2.ClH/c17-13(18-10-11-4-2-1-3-5-11)16-14-6-7-15-9-12(14)8-14;/h1-5,12,15H,6-10H2,(H,16,17);1H
InChIKeyUKLHCGGORLBRES-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.09
Rot. Bonds3

About benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride

benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride (PubChem CID 134819032) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
PubChem CID134819032
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Namebenzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
SMILESCl.O=C(NC12CCNCC1C2)OCc1ccccc1
InChIInChI=1S/C14H18N2O2.ClH/c17-13(18-10-11-4-2-1-3-5-11)16-14-6-7-15-9-12(14)8-14;/h1-5,12,15H,6-10H2,(H,16,17);1H
InChIKeyUKLHCGGORLBRES-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 117045632
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107393
benzyl N-[1-[(3-hydroxypiperidin-4-yl)carbamoyl]cyclohexyl]carbamate;hydrochloride
CID 69314997
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
2,3-dimethyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 131162341
benzyl N-[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 70796514

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride (CID 134819032) is benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride is Cl.O=C(NC12CCNCC1C2)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride?
The InChIKey is UKLHCGGORLBRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c17-13(18-10-11-4-2-1-3-5-11)16-14-6-7-15-9-12(14)8-14;/h1-5,12,15H,6-10H2,(H,16,17);1H.
What are the key properties of benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride?
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride is sourced from PubChem (CID 134819032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).