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

C16H33NO — CID 176877129

IUPAC1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
SMILESCC(C)CCOCCN1CCC(CC(C)C)CC1
InChIInChI=1S/C16H33NO/c1-14(2)7-11-18-12-10-17-8-5-16(6-9-17)13-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyAQIXJKXTFCLRPC-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.81
Rot. Bonds8

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

1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine (PubChem CID 176877129) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
PubChem CID176877129
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
SMILESCC(C)CCOCCN1CCC(CC(C)C)CC1
InChIInChI=1S/C16H33NO/c1-14(2)7-11-18-12-10-17-8-5-16(6-9-17)13-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyAQIXJKXTFCLRPC-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine
CID 166118357
3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 155740209
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine
CID 154992758
3-[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63905147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine?
The IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine (CID 176877129) is 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine is CC(C)CCOCCN1CCC(CC(C)C)CC1.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine?
The InChIKey is AQIXJKXTFCLRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)7-11-18-12-10-17-8-5-16(6-9-17)13-15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine?
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine has a molecular weight of 255.45 g/mol, XLogP of 3.81, 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-(2-methylpropyl)piperidine is sourced from PubChem (CID 176877129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).