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

C15H26N2O — CID 166649007

IUPACN-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine
SMILESCC1C=CC(OCCNC2CCNCC2)=CC1C
InChIInChI=1S/C15H26N2O/c1-12-3-4-15(11-13(12)2)18-10-9-17-14-5-7-16-8-6-14/h3-4,11-14,16-17H,5-10H2,1-2H3
InChIKeyTZTYWNFLKROVBL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds5

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

N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine (PubChem CID 166649007) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine
PubChem CID166649007
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine
SMILESCC1C=CC(OCCNC2CCNCC2)=CC1C
InChIInChI=1S/C15H26N2O/c1-12-3-4-15(11-13(12)2)18-10-9-17-14-5-7-16-8-6-14/h3-4,11-14,16-17H,5-10H2,1-2H3
InChIKeyTZTYWNFLKROVBL-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine (CID 166649007) is N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine is CC1C=CC(OCCNC2CCNCC2)=CC1C.
What is the InChIKey of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine?
The InChIKey is TZTYWNFLKROVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-3-4-15(11-13(12)2)18-10-9-17-14-5-7-16-8-6-14/h3-4,11-14,16-17H,5-10H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine?
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 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]piperidin-4-amine is sourced from PubChem (CID 166649007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).