(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate

C19H29ClN2O2 — CID 21330362

IUPAC(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate
SMILESCCC1(C)CC(OC(=O)Nc2ccc(Cl)cc2)C(C)C(C)(CC)N1
InChIInChI=1S/C19H29ClN2O2/c1-6-18(4)12-16(13(3)19(5,7-2)22-18)24-17(23)21-15-10-8-14(20)9-11-15/h8-11,13,16,22H,6-7,12H2,1-5H3,(H,21,23)
InChIKeyXKMAWPJEIZPQAH-UHFFFAOYSA-N
MW352.91 g/mol
LogP5.22
Rot. Bonds4

About (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate

(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate (PubChem CID 21330362) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate
PubChem CID21330362
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate
SMILESCCC1(C)CC(OC(=O)Nc2ccc(Cl)cc2)C(C)C(C)(CC)N1
InChIInChI=1S/C19H29ClN2O2/c1-6-18(4)12-16(13(3)19(5,7-2)22-18)24-17(23)21-15-10-8-14(20)9-11-15/h8-11,13,16,22H,6-7,12H2,1-5H3,(H,21,23)
InChIKeyXKMAWPJEIZPQAH-UHFFFAOYSA-N
XLogP5.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
CID 21330487
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 3-oxobutanoate
CID 20506924
2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid
CID 23344692
[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate
CID 79337964
(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate
CID 18370052
ethyl (E)-3-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxyprop-2-enoate
CID 70604850
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)propanamide
CID 57289781
N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide
CID 70599458
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
[(1S,2R)-2-methylcyclohexyl] N-[4-[[4-[[(1S,2R)-2-methylcyclohexyl]oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 124919110

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate?
The IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate (CID 21330362) is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate.
What is the SMILES notation for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate?
The canonical SMILES for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate is CCC1(C)CC(OC(=O)Nc2ccc(Cl)cc2)C(C)C(C)(CC)N1.
What is the InChIKey of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate?
The InChIKey is XKMAWPJEIZPQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-6-18(4)12-16(13(3)19(5,7-2)22-18)24-17(23)21-15-10-8-14(20)9-11-15/h8-11,13,16,22H,6-7,12H2,1-5H3,(H,21,23).
What are the key properties of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate?
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate has a molecular weight of 352.91 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 21330362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).