ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine

C16H35N — CID 142409504

IUPACethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine
SMILESCC.CC(C)CC(C)(C)CC1CCN(C)CC1
InChIInChI=1S/C14H29N.C2H6/c1-12(2)10-14(3,4)11-13-6-8-15(5)9-7-13;1-2/h12-13H,6-11H2,1-5H3;1-2H3
InChIKeyQOIZYHXJBDWRBN-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.82
Rot. Bonds4

About ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine

ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine (PubChem CID 142409504) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine
PubChem CID142409504
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Nameethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine
SMILESCC.CC(C)CC(C)(C)CC1CCN(C)CC1
InChIInChI=1S/C14H29N.C2H6/c1-12(2)10-14(3,4)11-13-6-8-15(5)9-7-13;1-2/h12-13H,6-11H2,1-5H3;1-2H3
InChIKeyQOIZYHXJBDWRBN-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
CID 161134297
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
4-(2,2-difluoropropyl)-1-methylazocane
CID 154553887
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
CID 58283754
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine
CID 84668485
2-fluoro-N,2-dimethyl-3-(1-methylpiperidin-4-yl)propan-1-amine
CID 105454869

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine?
The IUPAC name of ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine (CID 142409504) is ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine.
What is the SMILES notation for ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine?
The canonical SMILES for ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine is CC.CC(C)CC(C)(C)CC1CCN(C)CC1.
What is the InChIKey of ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine?
The InChIKey is QOIZYHXJBDWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C2H6/c1-12(2)10-14(3,4)11-13-6-8-15(5)9-7-13;1-2/h12-13H,6-11H2,1-5H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine?
ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine has a molecular weight of 241.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine is sourced from PubChem (CID 142409504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).