[1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate

C19H29NO4 — CID 10914645

IUPAC[1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1(c2cccc(OC(C)C)c2)CCN(C)CC1C
InChIInChI=1S/C19H29NO4/c1-6-22-18(21)24-19(10-11-20(5)13-15(19)4)16-8-7-9-17(12-16)23-14(2)3/h7-9,12,14-15H,6,10-11,13H2,1-5H3
InChIKeyOJGKBIRRFPYKKZ-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.81
Rot. Bonds5

About [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate

[1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate (PubChem CID 10914645) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate
PubChem CID10914645
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1(c2cccc(OC(C)C)c2)CCN(C)CC1C
InChIInChI=1S/C19H29NO4/c1-6-22-18(21)24-19(10-11-20(5)13-15(19)4)16-8-7-9-17(12-16)23-14(2)3/h7-9,12,14-15H,6,10-11,13H2,1-5H3
InChIKeyOJGKBIRRFPYKKZ-UHFFFAOYSA-N
XLogP3.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl [(3S,4R)-1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] carbonate
CID 10546686
2-methyl-5a-(3-propan-2-yloxyphenyl)-3,4,5,6,7,8,9,9a-octahydro-1H-benzo[c]azepine
CID 21330681
[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate
CID 10827897
ethyl (3S,4S)-1,3-dimethyl-4-phenylazepane-4-carboxylate
CID 76967995
(1,3-dimethyl-4-phenylazepan-4-yl) propanoate;[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
CID 70147210
ethyl 2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-3-methylbutanoate
CID 88985899
[(3S,4S)-1,4-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
CID 97299990
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine
CID 23001016
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
CID 59263185
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
CID 141095818

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate?
The IUPAC name of [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate (CID 10914645) is [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate.
What is the SMILES notation for [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate?
The canonical SMILES for [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate is CCOC(=O)OC1(c2cccc(OC(C)C)c2)CCN(C)CC1C.
What is the InChIKey of [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate?
The InChIKey is OJGKBIRRFPYKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-6-22-18(21)24-19(10-11-20(5)13-15(19)4)16-8-7-9-17(12-16)23-14(2)3/h7-9,12,14-15H,6,10-11,13H2,1-5H3.
What are the key properties of [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate?
[1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate has a molecular weight of 335.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-4-(3-propan-2-yloxyphenyl)piperidin-4-yl] ethyl carbonate is sourced from PubChem (CID 10914645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).