bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate

C23H44N2O3 — CID 57049315

IUPACbis[2-(1-butylpiperidin-2-yl)ethyl] carbonate
SMILESCCCCN1CCCCC1CCOC(=O)OCCC1CCCCN1CCCC
InChIInChI=1S/C23H44N2O3/c1-3-5-15-24-17-9-7-11-21(24)13-19-27-23(26)28-20-14-22-12-8-10-18-25(22)16-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyRZBWWLAXHIAZQS-UHFFFAOYSA-N
MW396.62 g/mol
LogP5.23
Rot. Bonds12

About bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate

bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate (PubChem CID 57049315) has the molecular formula C23H44N2O3 and a molecular weight of 396.62 g/mol. Its IUPAC name is bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate.

Molecular Properties

Compound Namebis[2-(1-butylpiperidin-2-yl)ethyl] carbonate
PubChem CID57049315
Molecular FormulaC23H44N2O3
Molecular Weight396.62 g/mol
Exact Mass396.34
IUPAC Namebis[2-(1-butylpiperidin-2-yl)ethyl] carbonate
SMILESCCCCN1CCCCC1CCOC(=O)OCCC1CCCCN1CCCC
InChIInChI=1S/C23H44N2O3/c1-3-5-15-24-17-9-7-11-21(24)13-19-27-23(26)28-20-14-22-12-8-10-18-25(22)16-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyRZBWWLAXHIAZQS-UHFFFAOYSA-N
XLogP5.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pentyl-2-propylpiperidine
CID 54429991
2-butyl-1-hexylpiperidine
CID 171569565
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
ethyl 6-(2-propylpiperidin-1-yl)hexanoate
CID 83055887
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
(1-butylazepan-2-yl)methanamine
CID 116640391

Frequently Asked Questions

What is the IUPAC name of bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate?
The IUPAC name of bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate (CID 57049315) is bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate.
What is the SMILES notation for bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate?
The canonical SMILES for bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate is CCCCN1CCCCC1CCOC(=O)OCCC1CCCCN1CCCC.
What is the InChIKey of bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate?
The InChIKey is RZBWWLAXHIAZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O3/c1-3-5-15-24-17-9-7-11-21(24)13-19-27-23(26)28-20-14-22-12-8-10-18-25(22)16-6-4-2/h21-22H,3-20H2,1-2H3.
What are the key properties of bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate?
bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate has a molecular weight of 396.62 g/mol, XLogP of 5.23, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate is sourced from PubChem (CID 57049315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).