N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine

C17H30N2O — CID 166648945

IUPACN-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine
SMILESCC1C=CC(OCCN(C)C2CCN(C)CC2)=CC1C
InChIInChI=1S/C17H30N2O/c1-14-5-6-17(13-15(14)2)20-12-11-19(4)16-7-9-18(3)10-8-16/h5-6,13-16H,7-12H2,1-4H3
InChIKeyNKSKEFVCHGGNOA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine

N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 166648945) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine
PubChem CID166648945
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine
SMILESCC1C=CC(OCCN(C)C2CCN(C)CC2)=CC1C
InChIInChI=1S/C17H30N2O/c1-14-5-6-17(13-15(14)2)20-12-11-19(4)16-7-9-18(3)10-8-16/h5-6,13-16H,7-12H2,1-4H3
InChIKeyNKSKEFVCHGGNOA-UHFFFAOYSA-N
XLogP2.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine (CID 166648945) is N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine is CC1C=CC(OCCN(C)C2CCN(C)CC2)=CC1C.
What is the InChIKey of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is NKSKEFVCHGGNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14-5-6-17(13-15(14)2)20-12-11-19(4)16-7-9-18(3)10-8-16/h5-6,13-16H,7-12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine?
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 166648945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).