1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine

C19H35NO — CID 166118357

IUPAC1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine
SMILESCCC(C)C#CCC1CCN(CCOCCC(C)C)CC1
InChIInChI=1S/C19H35NO/c1-5-18(4)7-6-8-19-9-12-20(13-10-19)14-16-21-15-11-17(2)3/h17-19H,5,8-16H2,1-4H3
InChIKeyDXULDCAMBNOGBD-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.20
Rot. Bonds8

About 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine

1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine (PubChem CID 166118357) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine
PubChem CID166118357
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine
SMILESCCC(C)C#CCC1CCN(CCOCCC(C)C)CC1
InChIInChI=1S/C19H35NO/c1-5-18(4)7-6-8-19-9-12-20(13-10-19)14-16-21-15-11-17(2)3/h17-19H,5,8-16H2,1-4H3
InChIKeyDXULDCAMBNOGBD-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
3-[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63905147
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
3-bromo-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80680216
4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine
CID 176986204
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
CID 163451495

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine?
The IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine (CID 166118357) is 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine is CCC(C)C#CCC1CCN(CCOCCC(C)C)CC1.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine?
The InChIKey is DXULDCAMBNOGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-18(4)7-6-8-19-9-12-20(13-10-19)14-16-21-15-11-17(2)3/h17-19H,5,8-16H2,1-4H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine?
1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine has a molecular weight of 293.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine is sourced from PubChem (CID 166118357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).