[3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate

C16H24N2O2 — CID 52940766

IUPAC[3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate
SMILESC[C@H](c1cccc(OC(=O)N(C)C)c1)N1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13(18-10-5-4-6-11-18)14-8-7-9-15(12-14)20-16(19)17(2)3/h7-9,12-13H,4-6,10-11H2,1-3H3/t13-/m1/s1
InChIKeyAZSNSMQGNNSLPD-CYBMUJFWSA-N
MW276.38 g/mol
LogP3.29
Rot. Bonds3

About [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate

[3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate (PubChem CID 52940766) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate
PubChem CID52940766
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate
SMILESC[C@H](c1cccc(OC(=O)N(C)C)c1)N1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13(18-10-5-4-6-11-18)14-8-7-9-15(12-14)20-16(19)17(2)3/h7-9,12-13H,4-6,10-11H2,1-3H3/t13-/m1/s1
InChIKeyAZSNSMQGNNSLPD-CYBMUJFWSA-N
XLogP3.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate
CID 10859051
3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N-ethyl-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate (CID 52940766) is [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate is C[C@H](c1cccc(OC(=O)N(C)C)c1)N1CCCCC1.
What is the InChIKey of [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is AZSNSMQGNNSLPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(18-10-5-4-6-11-18)14-8-7-9-15(12-14)20-16(19)17(2)3/h7-9,12-13H,4-6,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate?
[3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 276.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1-piperidin-1-ylethyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 52940766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).