2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine

C18H32N2O — CID 169112914

IUPAC2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine
SMILESCC1CCCNC1.CN1CCCC1COC1=CCCC=C1
InChIInChI=1S/C12H19NO.C6H13N/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12;1-6-3-2-4-7-5-6/h3,7-8,11H,2,4-6,9-10H2,1H3;6-7H,2-5H2,1H3
InChIKeyPLHYVONUMXZONP-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.34
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine

2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine (PubChem CID 169112914) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine
PubChem CID169112914
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine
SMILESCC1CCCNC1.CN1CCCC1COC1=CCCC=C1
InChIInChI=1S/C12H19NO.C6H13N/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12;1-6-3-2-4-7-5-6/h3,7-8,11H,2,4-6,9-10H2,1H3;6-7H,2-5H2,1H3
InChIKeyPLHYVONUMXZONP-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine;trihydrochloride
CID 67545929
2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine;trihydrochloride
CID 67545932
Ethane;4-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-2,4-dien-1-amine
CID 143202030
(2R)-2-[(5-ethyl-3-methylcyclohexa-1,5-dien-1-yl)oxymethyl]pyrrolidine;molecular hydrogen
CID 145472969
5-[2-[[4-(4-Methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]oxymethyl]pyrrolidin-1-yl]pent-1-en-2-amine
CID 145541089
1-[5-methoxy-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 164139513
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine
CID 164737027
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidin-4-amine
CID 166648811
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N-methylpiperidin-4-amine
CID 166648816
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-1-methylpiperidin-4-amine
CID 167000989
6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
CID 67545930
2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
CID 67545933

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine (CID 169112914) is 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine is CC1CCCNC1.CN1CCCC1COC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine?
The InChIKey is PLHYVONUMXZONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C6H13N/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12;1-6-3-2-4-7-5-6/h3,7-8,11H,2,4-6,9-10H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine?
2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine has a molecular weight of 292.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine is sourced from PubChem (CID 169112914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).