2,4,4-trimethyl-1-propan-2-ylpiperidine

C11H23N — CID 177325327

IUPAC2,4,4-trimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(C)CC1C
InChIInChI=1S/C11H23N/c1-9(2)12-7-6-11(4,5)8-10(12)3/h9-10H,6-8H2,1-5H3
InChIKeyYEYFOLMMEPOYIC-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds1

About 2,4,4-trimethyl-1-propan-2-ylpiperidine

2,4,4-trimethyl-1-propan-2-ylpiperidine (PubChem CID 177325327) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,4,4-trimethyl-1-propan-2-ylpiperidine
PubChem CID177325327
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,4,4-trimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(C)CC1C
InChIInChI=1S/C11H23N/c1-9(2)12-7-6-11(4,5)8-10(12)3/h9-10H,6-8H2,1-5H3
InChIKeyYEYFOLMMEPOYIC-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
(2R,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 176766721
(2S,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 177325259
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
CID 170772142
2-methyl-1-propan-2-ylazepane
CID 66910895
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
1,3,5,5-tetramethyl-2-(2-methylpropyl)azepane
CID 146572452
2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
CID 159786270
[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
CID 81320979

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-propan-2-ylpiperidine?
The IUPAC name of 2,4,4-trimethyl-1-propan-2-ylpiperidine (CID 177325327) is 2,4,4-trimethyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 2,4,4-trimethyl-1-propan-2-ylpiperidine?
The canonical SMILES for 2,4,4-trimethyl-1-propan-2-ylpiperidine is CC(C)N1CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-1-propan-2-ylpiperidine?
The InChIKey is YEYFOLMMEPOYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)12-7-6-11(4,5)8-10(12)3/h9-10H,6-8H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-1-propan-2-ylpiperidine?
2,4,4-trimethyl-1-propan-2-ylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 177325327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).