ethane;methyl 4-propylpiperidine-1-carboxylate

C12H25NO2 — CID 145047424

IUPACethane;methyl 4-propylpiperidine-1-carboxylate
SMILESCC.CCCC1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-3-4-9-5-7-11(8-6-9)10(12)13-2;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyCXKLJMLMXCJZHS-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds2

About ethane;methyl 4-propylpiperidine-1-carboxylate

ethane;methyl 4-propylpiperidine-1-carboxylate (PubChem CID 145047424) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;methyl 4-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-propylpiperidine-1-carboxylate
PubChem CID145047424
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;methyl 4-propylpiperidine-1-carboxylate
SMILESCC.CCCC1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-3-4-9-5-7-11(8-6-9)10(12)13-2;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyCXKLJMLMXCJZHS-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234397
Ethyl 4-methylpiperidine-1-carboxylate
CID 251481
1-Boc-4-Methylpiperidine
CID 11321572
methyl N-methyl-N-[(1-methylpiperidin-3-yl)methyl]carbamate
CID 115190705
methyl N-methyl-N-((1-methylpiperidin-4-yl)methyl)carbamate
CID 115611657
Tert-butyl 4-ethylpiperidine-1-carboxylate
CID 21959548
tert-Butyl 4-butylpiperidine-1-carboxylate
CID 22970159
2-Fluoroethyl 4-methylpiperidine-1-carboxylate
CID 59777164
1-Fluoroethyl 4-methylpiperidine-1-carboxylate
CID 59777185
2-Fluoroethyl 4-ethylpiperidine-1-carboxylate
CID 88979850
2-Fluoroethyl 4-propan-2-ylpiperidine-1-carboxylate
CID 88996270
Ethane;trifluoromethyl 4-methylpiperidine-1-carboxylate
CID 144489051

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-propylpiperidine-1-carboxylate?
The IUPAC name of ethane;methyl 4-propylpiperidine-1-carboxylate (CID 145047424) is ethane;methyl 4-propylpiperidine-1-carboxylate.
What is the SMILES notation for ethane;methyl 4-propylpiperidine-1-carboxylate?
The canonical SMILES for ethane;methyl 4-propylpiperidine-1-carboxylate is CC.CCCC1CCN(C(=O)OC)CC1.
What is the InChIKey of ethane;methyl 4-propylpiperidine-1-carboxylate?
The InChIKey is CXKLJMLMXCJZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-3-4-9-5-7-11(8-6-9)10(12)13-2;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 4-propylpiperidine-1-carboxylate?
ethane;methyl 4-propylpiperidine-1-carboxylate has a molecular weight of 215.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-propylpiperidine-1-carboxylate is sourced from PubChem (CID 145047424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).