1-methyl-4,4-di(propan-2-yl)piperidine

C12H25N — CID 18740750

IUPAC1-methyl-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(C)CC1
InChIInChI=1S/C12H25N/c1-10(2)12(11(3)4)6-8-13(5)9-7-12/h10-11H,6-9H2,1-5H3
InChIKeyKHKKFGJHOBJWJC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds2

About 1-methyl-4,4-di(propan-2-yl)piperidine

1-methyl-4,4-di(propan-2-yl)piperidine (PubChem CID 18740750) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-methyl-4,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4,4-di(propan-2-yl)piperidine
PubChem CID18740750
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-methyl-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(C)CC1
InChIInChI=1S/C12H25N/c1-10(2)12(11(3)4)6-8-13(5)9-7-12/h10-11H,6-9H2,1-5H3
InChIKeyKHKKFGJHOBJWJC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine
CID 21069094
1,4-dimethyl-4-propan-2-ylazepane
CID 91322463
(1-methyl-4-propan-2-ylpiperidin-4-yl)methanamine
CID 82598285
1,1-di(propan-2-yl)cycloheptane
CID 23589303
4,4-difluoro-1-methylpiperidine;2-ethoxypropane
CID 168995938
1,4,4,5,5,6,6-heptamethylazocane
CID 154547970
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
1-methyl-4-(1-propan-2-ylcyclopropyl)piperidine
CID 177136653
4-iodo-1-methyl-4-(2-methylpropyl)piperidine
CID 143500232
4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 172607002
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,4-di(propan-2-yl)piperidine?
The IUPAC name of 1-methyl-4,4-di(propan-2-yl)piperidine (CID 18740750) is 1-methyl-4,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1-methyl-4,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1-methyl-4,4-di(propan-2-yl)piperidine is CC(C)C1(C(C)C)CCN(C)CC1.
What is the InChIKey of 1-methyl-4,4-di(propan-2-yl)piperidine?
The InChIKey is KHKKFGJHOBJWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)12(11(3)4)6-8-13(5)9-7-12/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-methyl-4,4-di(propan-2-yl)piperidine?
1-methyl-4,4-di(propan-2-yl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 18740750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).