ethane;4-ethyl-1-(6-methylheptyl)piperidine

C17H37N — CID 170614915

IUPACethane;4-ethyl-1-(6-methylheptyl)piperidine
SMILESCC.CCC1CCN(CCCCCC(C)C)CC1
InChIInChI=1S/C15H31N.C2H6/c1-4-15-9-12-16(13-10-15)11-7-5-6-8-14(2)3;1-2/h14-15H,4-13H2,1-3H3;1-2H3
InChIKeyDYVVKNWLOJHINM-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.35
Rot. Bonds7

About ethane;4-ethyl-1-(6-methylheptyl)piperidine

ethane;4-ethyl-1-(6-methylheptyl)piperidine (PubChem CID 170614915) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is ethane;4-ethyl-1-(6-methylheptyl)piperidine.

Molecular Properties

Compound Nameethane;4-ethyl-1-(6-methylheptyl)piperidine
PubChem CID170614915
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Nameethane;4-ethyl-1-(6-methylheptyl)piperidine
SMILESCC.CCC1CCN(CCCCCC(C)C)CC1
InChIInChI=1S/C15H31N.C2H6/c1-4-15-9-12-16(13-10-15)11-7-5-6-8-14(2)3;1-2/h14-15H,4-13H2,1-3H3;1-2H3
InChIKeyDYVVKNWLOJHINM-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
N-ethyl-1-(7-methyloctyl)piperidin-4-amine
CID 114004129
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
6-(4-ethylpiperidin-1-yl)hexan-3-amine
CID 106799490
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
1-(9-bromononyl)-4-ethylazepane
CID 105343800
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-(6-methylheptyl)piperidine?
The IUPAC name of ethane;4-ethyl-1-(6-methylheptyl)piperidine (CID 170614915) is ethane;4-ethyl-1-(6-methylheptyl)piperidine.
What is the SMILES notation for ethane;4-ethyl-1-(6-methylheptyl)piperidine?
The canonical SMILES for ethane;4-ethyl-1-(6-methylheptyl)piperidine is CC.CCC1CCN(CCCCCC(C)C)CC1.
What is the InChIKey of ethane;4-ethyl-1-(6-methylheptyl)piperidine?
The InChIKey is DYVVKNWLOJHINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C2H6/c1-4-15-9-12-16(13-10-15)11-7-5-6-8-14(2)3;1-2/h14-15H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-(6-methylheptyl)piperidine?
ethane;4-ethyl-1-(6-methylheptyl)piperidine has a molecular weight of 255.49 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-(6-methylheptyl)piperidine is sourced from PubChem (CID 170614915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).