3-(dimethylamino)butyl piperidine-1-carboxylate

C12H24N2O2 — CID 44589438

IUPAC3-(dimethylamino)butyl piperidine-1-carboxylate
SMILESCC(CCOC(=O)N1CCCCC1)N(C)C
InChIInChI=1S/C12H24N2O2/c1-11(13(2)3)7-10-16-12(15)14-8-5-4-6-9-14/h11H,4-10H2,1-3H3
InChIKeyBVDJUTIKRAZUNH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.95
Rot. Bonds4

About 3-(dimethylamino)butyl piperidine-1-carboxylate

3-(dimethylamino)butyl piperidine-1-carboxylate (PubChem CID 44589438) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(dimethylamino)butyl piperidine-1-carboxylate.

Molecular Properties

Compound Name3-(dimethylamino)butyl piperidine-1-carboxylate
PubChem CID44589438
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(dimethylamino)butyl piperidine-1-carboxylate
SMILESCC(CCOC(=O)N1CCCCC1)N(C)C
InChIInChI=1S/C12H24N2O2/c1-11(13(2)3)7-10-16-12(15)14-8-5-4-6-9-14/h11H,4-10H2,1-3H3
InChIKeyBVDJUTIKRAZUNH-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)butyl piperidine-1-carboxylate?
The IUPAC name of 3-(dimethylamino)butyl piperidine-1-carboxylate (CID 44589438) is 3-(dimethylamino)butyl piperidine-1-carboxylate.
What is the SMILES notation for 3-(dimethylamino)butyl piperidine-1-carboxylate?
The canonical SMILES for 3-(dimethylamino)butyl piperidine-1-carboxylate is CC(CCOC(=O)N1CCCCC1)N(C)C.
What is the InChIKey of 3-(dimethylamino)butyl piperidine-1-carboxylate?
The InChIKey is BVDJUTIKRAZUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(13(2)3)7-10-16-12(15)14-8-5-4-6-9-14/h11H,4-10H2,1-3H3.
What are the key properties of 3-(dimethylamino)butyl piperidine-1-carboxylate?
3-(dimethylamino)butyl piperidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butyl piperidine-1-carboxylate is sourced from PubChem (CID 44589438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).