1-tert-butyl-N,N,3-trimethylpiperidin-4-amine

C12H26N2 — CID 2827012

IUPAC1-tert-butyl-N,N,3-trimethylpiperidin-4-amine
SMILESCC1CN(C(C)(C)C)CCC1N(C)C
InChIInChI=1S/C12H26N2/c1-10-9-14(12(2,3)4)8-7-11(10)13(5)6/h10-11H,7-9H2,1-6H3
InChIKeyJSNCSHJZVZNBDE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds1

About 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine

1-tert-butyl-N,N,3-trimethylpiperidin-4-amine (PubChem CID 2827012) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N,N,3-trimethylpiperidin-4-amine
PubChem CID2827012
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-tert-butyl-N,N,3-trimethylpiperidin-4-amine
SMILESCC1CN(C(C)(C)C)CCC1N(C)C
InChIInChI=1S/C12H26N2/c1-10-9-14(12(2,3)4)8-7-11(10)13(5)6/h10-11H,7-9H2,1-6H3
InChIKeyJSNCSHJZVZNBDE-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1-Ethyl-3-methylpiperidine
CID 102760
1,3-Dimethylpiperidin-4-amine
CID 23008883
4-(Dimethylamino)-1,2,2,6,6-pentamethylpiperidine
CID 5004995
1,2,5-Trimethylpiperidine
CID 338922
cis-1,3,5-Trimethylpiperidine
CID 642618
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
Piperidine, 1,2,4-trimethyl-
CID 21627804
(2S,4S)-1,2,4-trimethylpiperidine
CID 21627805
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
1-Butyl-3-methylpiperidine
CID 6428881

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine (CID 2827012) is 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine is CC1CN(C(C)(C)C)CCC1N(C)C.
What is the InChIKey of 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine?
The InChIKey is JSNCSHJZVZNBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10-9-14(12(2,3)4)8-7-11(10)13(5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine?
1-tert-butyl-N,N,3-trimethylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 2827012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).