N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine

C17H24N2O2 — CID 43785160

IUPACN-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cc(OC)c(OC)cc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-5-8-19-9-6-14(7-10-19)18-15-12-17(21-4)16(20-3)11-13(15)2/h1,11-12,14,18H,6-10H2,2-4H3
InChIKeyZOFBHAYLPABGIL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.52
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine

N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43785160) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43785160
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cc(OC)c(OC)cc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-5-8-19-9-6-14(7-10-19)18-15-12-17(21-4)16(20-3)11-13(15)2/h1,11-12,14,18H,6-10H2,2-4H3
InChIKeyZOFBHAYLPABGIL-UHFFFAOYSA-N
XLogP2.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43785160) is N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2cc(OC)c(OC)cc2C)CC1.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is ZOFBHAYLPABGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-8-19-9-6-14(7-10-19)18-15-12-17(21-4)16(20-3)11-13(15)2/h1,11-12,14,18H,6-10H2,2-4H3.
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 288.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43785160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).