phenyl N-piperidin-4-ylcarbamate;hydrochloride

C12H17ClN2O2 — CID 50988760

IUPACphenyl N-piperidin-4-ylcarbamate;hydrochloride
SMILESCl.O=C(NC1CCNCC1)Oc1ccccc1
InChIInChI=1S/C12H16N2O2.ClH/c15-12(14-10-6-8-13-9-7-10)16-11-4-2-1-3-5-11;/h1-5,10,13H,6-9H2,(H,14,15);1H
InChIKeyXMKJWNPWUUVREB-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.95
Rot. Bonds2

About phenyl N-piperidin-4-ylcarbamate;hydrochloride

phenyl N-piperidin-4-ylcarbamate;hydrochloride (PubChem CID 50988760) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is phenyl N-piperidin-4-ylcarbamate;hydrochloride.

Molecular Properties

Compound Namephenyl N-piperidin-4-ylcarbamate;hydrochloride
PubChem CID50988760
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Namephenyl N-piperidin-4-ylcarbamate;hydrochloride
SMILESCl.O=C(NC1CCNCC1)Oc1ccccc1
InChIInChI=1S/C12H16N2O2.ClH/c15-12(14-10-6-8-13-9-7-10)16-11-4-2-1-3-5-11;/h1-5,10,13H,6-9H2,(H,14,15);1H
InChIKeyXMKJWNPWUUVREB-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-piperidin-4-ylcarbamate;hydrochloride?
The IUPAC name of phenyl N-piperidin-4-ylcarbamate;hydrochloride (CID 50988760) is phenyl N-piperidin-4-ylcarbamate;hydrochloride.
What is the SMILES notation for phenyl N-piperidin-4-ylcarbamate;hydrochloride?
The canonical SMILES for phenyl N-piperidin-4-ylcarbamate;hydrochloride is Cl.O=C(NC1CCNCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-piperidin-4-ylcarbamate;hydrochloride?
The InChIKey is XMKJWNPWUUVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c15-12(14-10-6-8-13-9-7-10)16-11-4-2-1-3-5-11;/h1-5,10,13H,6-9H2,(H,14,15);1H.
What are the key properties of phenyl N-piperidin-4-ylcarbamate;hydrochloride?
phenyl N-piperidin-4-ylcarbamate;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-piperidin-4-ylcarbamate;hydrochloride is sourced from PubChem (CID 50988760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).