[4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine

C14H24N2O — CID 147934319

IUPAC[4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine
SMILESCC1CC=C(CN)C=C1OC1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-11-3-4-12(10-15)9-14(11)17-13-5-7-16(2)8-6-13/h4,9,11,13H,3,5-8,10,15H2,1-2H3
InChIKeyIKMOLQQRXDFPHZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.91
Rot. Bonds3

About [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine

[4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine (PubChem CID 147934319) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine
PubChem CID147934319
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine
SMILESCC1CC=C(CN)C=C1OC1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-11-3-4-12(10-15)9-14(11)17-13-5-7-16(2)8-6-13/h4,9,11,13H,3,5-8,10,15H2,1-2H3
InChIKeyIKMOLQQRXDFPHZ-UHFFFAOYSA-N
XLogP1.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(2-methyl-5-propan-2-yloxycyclohexa-1,5-dien-1-yl)piperidine
CID 71133721
3-[5-(Piperidin-1-ylmethyl)cyclohexa-1,4-dien-1-yl]oxypropan-1-amine
CID 86132093
1-Methyl-3-[(3-methylcyclohexa-1,3-dien-1-yl)oxymethyl]piperidine
CID 139565489
4-[3-(2-Methylpropyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
CID 143926315
5-(1-Methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine
CID 174368806

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine?
The IUPAC name of [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine (CID 147934319) is [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine?
The canonical SMILES for [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine is CC1CC=C(CN)C=C1OC1CCN(C)CC1.
What is the InChIKey of [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine?
The InChIKey is IKMOLQQRXDFPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-3-4-12(10-15)9-14(11)17-13-5-7-16(2)8-6-13/h4,9,11,13H,3,5-8,10,15H2,1-2H3.
What are the key properties of [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine?
[4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-yl]methanamine is sourced from PubChem (CID 147934319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).