3-butylpiperidine;ethane;ethoxybenzene

C19H35NO — CID 159556445

IUPAC3-butylpiperidine;ethane;ethoxybenzene
SMILESCC.CCCCC1CCCNC1.CCOc1ccccc1
InChIInChI=1S/C9H19N.C8H10O.C2H6/c1-2-3-5-9-6-4-7-10-8-9;1-2-9-8-6-4-3-5-7-8;1-2/h9-10H,2-8H2,1H3;3-7H,2H2,1H3;1-2H3
InChIKeyMGAXOIFWVRYMGB-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.29
Rot. Bonds5

About 3-butylpiperidine;ethane;ethoxybenzene

3-butylpiperidine;ethane;ethoxybenzene (PubChem CID 159556445) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-butylpiperidine;ethane;ethoxybenzene.

Molecular Properties

Compound Name3-butylpiperidine;ethane;ethoxybenzene
PubChem CID159556445
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name3-butylpiperidine;ethane;ethoxybenzene
SMILESCC.CCCCC1CCCNC1.CCOc1ccccc1
InChIInChI=1S/C9H19N.C8H10O.C2H6/c1-2-3-5-9-6-4-7-10-8-9;1-2-9-8-6-4-3-5-7-8;1-2/h9-10H,2-8H2,1H3;3-7H,2H2,1H3;1-2H3
InChIKeyMGAXOIFWVRYMGB-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3S)-3-heptylpiperidine
CID 155456188
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
CID 68628460
[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
CID 67740923
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129

Frequently Asked Questions

What is the IUPAC name of 3-butylpiperidine;ethane;ethoxybenzene?
The IUPAC name of 3-butylpiperidine;ethane;ethoxybenzene (CID 159556445) is 3-butylpiperidine;ethane;ethoxybenzene.
What is the SMILES notation for 3-butylpiperidine;ethane;ethoxybenzene?
The canonical SMILES for 3-butylpiperidine;ethane;ethoxybenzene is CC.CCCCC1CCCNC1.CCOc1ccccc1.
What is the InChIKey of 3-butylpiperidine;ethane;ethoxybenzene?
The InChIKey is MGAXOIFWVRYMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H10O.C2H6/c1-2-3-5-9-6-4-7-10-8-9;1-2-9-8-6-4-3-5-7-8;1-2/h9-10H,2-8H2,1H3;3-7H,2H2,1H3;1-2H3.
What are the key properties of 3-butylpiperidine;ethane;ethoxybenzene?
3-butylpiperidine;ethane;ethoxybenzene has a molecular weight of 293.50 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpiperidine;ethane;ethoxybenzene is sourced from PubChem (CID 159556445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).