4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine

C22H44N2 — CID 170401379

IUPAC4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine
SMILESCCC1(C)CCN(C(C)CCC(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H44N2/c1-7-22(6)12-16-24(17-13-22)20(5)9-8-19(4)21-10-14-23(15-11-21)18(2)3/h18-21H,7-17H2,1-6H3
InChIKeyRDPZVBVSEQDFKL-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.42
Rot. Bonds7

About 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine

4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine (PubChem CID 170401379) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine
PubChem CID170401379
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine
SMILESCCC1(C)CCN(C(C)CCC(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H44N2/c1-7-22(6)12-16-24(17-13-22)20(5)9-8-19(4)21-10-14-23(15-11-21)18(2)3/h18-21H,7-17H2,1-6H3
InChIKeyRDPZVBVSEQDFKL-UHFFFAOYSA-N
XLogP5.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-4-methylpiperidin-1-yl)propan-1-amine
CID 63157136
1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
CID 130841239
N-[2-(4-ethyl-4-methylpiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 63163458
1-propan-2-yl-4-[5-(6-propan-2-yloxan-3-yl)hexan-2-yl]piperidine
CID 155484059
1,4-di(propan-2-yl)piperidine
CID 21303253
2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
CID 64704169
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate
CID 63158675
2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 117238981
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
2-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-amine
CID 63156831

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine?
The IUPAC name of 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine (CID 170401379) is 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine.
What is the SMILES notation for 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine?
The canonical SMILES for 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine is CCC1(C)CCN(C(C)CCC(C)C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine?
The InChIKey is RDPZVBVSEQDFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-7-22(6)12-16-24(17-13-22)20(5)9-8-19(4)21-10-14-23(15-11-21)18(2)3/h18-21H,7-17H2,1-6H3.
What are the key properties of 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine?
4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine has a molecular weight of 336.61 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine is sourced from PubChem (CID 170401379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).