benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen

C19H27NO3 — CID 144945092

IUPACbenzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen
SMILESCC1(C)CCN(C(=O)OCc2ccccc2)C(C(=O)C2CC2)C1.[H][H]
InChIInChI=1S/C19H25NO3.H2/c1-19(2)10-11-20(16(12-19)17(21)15-8-9-15)18(22)23-13-14-6-4-3-5-7-14;/h3-7,15-16H,8-13H2,1-2H3;1H
InChIKeyFIZROHLEGROXDO-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.04
Rot. Bonds4

About benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen

benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen (PubChem CID 144945092) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namebenzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen
PubChem CID144945092
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namebenzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen
SMILESCC1(C)CCN(C(=O)OCc2ccccc2)C(C(=O)C2CC2)C1.[H][H]
InChIInChI=1S/C19H25NO3.H2/c1-19(2)10-11-20(16(12-19)17(21)15-8-9-15)18(22)23-13-14-6-4-3-5-7-14;/h3-7,15-16H,8-13H2,1-2H3;1H
InChIKeyFIZROHLEGROXDO-UHFFFAOYSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S,3S)-2-ethyl-3-hydroxy-3-methylpyrrolidine-1-carboxylate
CID 59273087
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
benzyl (2S,4R)-4-hydroxy-4-methyl-2-phenylpiperidine-1-carboxylate
CID 174161379
8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
CID 15123244
benzyl (2R)-2-ethynylazetidine-1-carboxylate
CID 157287353
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
(2R,4S)-4-tert-butyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 15485548
benzyl 5-hydroxy-2,2-dimethylazepane-1-carboxylate
CID 118230382
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen?
The IUPAC name of benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen (CID 144945092) is benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen is CC1(C)CCN(C(=O)OCc2ccccc2)C(C(=O)C2CC2)C1.[H][H].
What is the InChIKey of benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen?
The InChIKey is FIZROHLEGROXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3.H2/c1-19(2)10-11-20(16(12-19)17(21)15-8-9-15)18(22)23-13-14-6-4-3-5-7-14;/h3-7,15-16H,8-13H2,1-2H3;1H.
What are the key properties of benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen?
benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen has a molecular weight of 317.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 144945092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).