(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate

C13H18N2O2 — CID 67304885

IUPAC(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H18N2O2/c1-14(2)13(16)17-12-7-5-11(6-8-12)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyBWICBKWTSNKWKF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.35
Rot. Bonds2

About (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate

(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate (PubChem CID 67304885) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate
PubChem CID67304885
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H18N2O2/c1-14(2)13(16)17-12-7-5-11(6-8-12)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyBWICBKWTSNKWKF-UHFFFAOYSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)piperidine
CID 10130315
(4-methoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate
CID 145155722
(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate
CID 13483047
(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate
CID 139337231
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethyl [4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl] carbonate
CID 108865631
(4-pyrrolidin-1-ylphenyl) 4-pentylcyclohexane-1-carboxylate
CID 102132847
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 142931521
ethane;2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetic acid
CID 144811360
2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 3681785

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate?
The IUPAC name of (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate (CID 67304885) is (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate?
The canonical SMILES for (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(N2CCCC2)cc1.
What is the InChIKey of (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate?
The InChIKey is BWICBKWTSNKWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(2)13(16)17-12-7-5-11(6-8-12)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate?
(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 67304885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).