1-tert-butyl-3-(2-methylpropyl)piperidine

C13H27N — CID 170069578

IUPAC1-tert-butyl-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-11(2)9-12-7-6-8-14(10-12)13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyNOIUMMIJLFGOOA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About 1-tert-butyl-3-(2-methylpropyl)piperidine

1-tert-butyl-3-(2-methylpropyl)piperidine (PubChem CID 170069578) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methylpropyl)piperidine
PubChem CID170069578
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-tert-butyl-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-11(2)9-12-7-6-8-14(10-12)13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyNOIUMMIJLFGOOA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine
CID 176842011
(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901
3-(2-methylpropyl)piperidin-1-amine
CID 83529044
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
[(3S)-1-tert-butylpiperidin-3-yl]methyl methanesulfonate
CID 164945767
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
CID 169241986
3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine
CID 169242150
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;2,2-dimethylpropylcyclobutane;methane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158178582
1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylpropyl)piperidine?
The IUPAC name of 1-tert-butyl-3-(2-methylpropyl)piperidine (CID 170069578) is 1-tert-butyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for 1-tert-butyl-3-(2-methylpropyl)piperidine is CC(C)CC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(2-methylpropyl)piperidine?
The InChIKey is NOIUMMIJLFGOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)9-12-7-6-8-14(10-12)13(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(2-methylpropyl)piperidine?
1-tert-butyl-3-(2-methylpropyl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 170069578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).