1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine

C18H30N2O — CID 89293955

IUPAC1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
SMILESC=CCOC1C=CC(C(C)N2CCC(N)CC2)=C(C)C1C
InChIInChI=1S/C18H30N2O/c1-5-12-21-18-7-6-17(13(2)14(18)3)15(4)20-10-8-16(19)9-11-20/h5-7,14-16,18H,1,8-12,19H2,2-4H3
InChIKeyPCNZWXARSULZSR-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.89
Rot. Bonds5

About 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine

1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine (PubChem CID 89293955) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
PubChem CID89293955
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
SMILESC=CCOC1C=CC(C(C)N2CCC(N)CC2)=C(C)C1C
InChIInChI=1S/C18H30N2O/c1-5-12-21-18-7-6-17(13(2)14(18)3)15(4)20-10-8-16(19)9-11-20/h5-7,14-16,18H,1,8-12,19H2,2-4H3
InChIKeyPCNZWXARSULZSR-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine (CID 89293955) is 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine is C=CCOC1C=CC(C(C)N2CCC(N)CC2)=C(C)C1C.
What is the InChIKey of 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
The InChIKey is PCNZWXARSULZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-12-21-18-7-6-17(13(2)14(18)3)15(4)20-10-8-16(19)9-11-20/h5-7,14-16,18H,1,8-12,19H2,2-4H3.
What are the key properties of 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine?
1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 89293955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).