1-tert-butyl-2-propylpiperidine

C12H25N — CID 59028554

IUPAC1-tert-butyl-2-propylpiperidine
SMILESCCCC1CCCCN1C(C)(C)C
InChIInChI=1S/C12H25N/c1-5-8-11-9-6-7-10-13(11)12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyUBHKFCAOKOJVDG-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.44
Rot. Bonds2

About 1-tert-butyl-2-propylpiperidine

1-tert-butyl-2-propylpiperidine (PubChem CID 59028554) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-tert-butyl-2-propylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-2-propylpiperidine
PubChem CID59028554
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-tert-butyl-2-propylpiperidine
SMILESCCCC1CCCCN1C(C)(C)C
InChIInChI=1S/C12H25N/c1-5-8-11-9-6-7-10-13(11)12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyUBHKFCAOKOJVDG-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-2-propylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
2-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 83053264
2-(1-tert-butylazepan-2-yl)ethanamine
CID 84668474
1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
(1-tert-butylazepan-2-yl)methanol
CID 84660252
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
2,4-dimethyl-2-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83052847
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83056263
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
CID 172515405

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propylpiperidine?
The IUPAC name of 1-tert-butyl-2-propylpiperidine (CID 59028554) is 1-tert-butyl-2-propylpiperidine.
What is the SMILES notation for 1-tert-butyl-2-propylpiperidine?
The canonical SMILES for 1-tert-butyl-2-propylpiperidine is CCCC1CCCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-propylpiperidine?
The InChIKey is UBHKFCAOKOJVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-11-9-6-7-10-13(11)12(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-2-propylpiperidine?
1-tert-butyl-2-propylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propylpiperidine is sourced from PubChem (CID 59028554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).