ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate

C19H25NO2 — CID 142555031

IUPACethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
SMILESCC.Cc1ccc(OC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H19NO2.C2H6/c1-13-9-10-16(15-8-4-3-7-14(13)15)20-17(19)18-11-5-2-6-12-18;1-2/h3-4,7-10H,2,5-6,11-12H2,1H3;1-2H3
InChIKeyPNRVWFUHSHKXNK-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.16
Rot. Bonds1

About ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate

ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate (PubChem CID 142555031) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
PubChem CID142555031
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nameethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
SMILESCC.Cc1ccc(OC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H19NO2.C2H6/c1-13-9-10-16(15-8-4-3-7-14(13)15)20-17(19)18-11-5-2-6-12-18;1-2/h3-4,7-10H,2,5-6,11-12H2,1H3;1-2H3
InChIKeyPNRVWFUHSHKXNK-UHFFFAOYSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
CID 170622073
[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate
CID 118272508
(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
CID 171829484
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
CID 23766816
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
(2-methylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819303
(2,3,6-trimethylphenyl) 1,4-diazepane-1-carboxylate
CID 82302827
(4-carbamoyloxynaphthalen-1-yl)boronic acid
CID 57464319
naphthalen-1-yl thiomorpholine-4-carboxylate
CID 138533444
[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate
CID 91346957
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate?
The IUPAC name of ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate (CID 142555031) is ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate.
What is the SMILES notation for ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate?
The canonical SMILES for ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate is CC.Cc1ccc(OC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate?
The InChIKey is PNRVWFUHSHKXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C2H6/c1-13-9-10-16(15-8-4-3-7-14(13)15)20-17(19)18-11-5-2-6-12-18;1-2/h3-4,7-10H,2,5-6,11-12H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate?
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate is sourced from PubChem (CID 142555031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).