3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine

C20H42N2 — CID 165121785

IUPAC3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1
InChIInChI=1S/2C10H21N/c1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11/h2*9H,5-8H2,1-4H3
InChIKeyQONOOCNTRMHPGG-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.03
Rot. Bonds2

About 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine

3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine (PubChem CID 165121785) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
PubChem CID165121785
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1
InChIInChI=1S/2C10H21N/c1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11/h2*9H,5-8H2,1-4H3
InChIKeyQONOOCNTRMHPGG-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)
CID 163857850
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine
CID 79408656
(2R)-1-(azepan-1-yl)-2-(4,4-dimethylazepan-1-yl)propan-1-one
CID 99811252
2-[1-(4,4-dimethylazepan-1-yl)ethyl]benzene-1,3-diol
CID 107711960
tert-butyl 2-(4,4-dimethylazepan-1-yl)propanoate
CID 65438547
3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408655

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine?
The IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine (CID 165121785) is 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine?
The canonical SMILES for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine is CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine?
The InChIKey is QONOOCNTRMHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21N/c1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11/h2*9H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine?
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine has a molecular weight of 310.57 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 165121785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).