1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine

C17H28N2 — CID 62091433

IUPAC1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-9-11-19(12-10-15)16-7-5-14(6-8-16)13-18-4/h5-8,15,18H,9-13H2,1-4H3
InChIKeyRIFYJUOTZXVUGO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.67
Rot. Bonds3

About 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine

1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 62091433) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
PubChem CID62091433
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-9-11-19(12-10-15)16-7-5-14(6-8-16)13-18-4/h5-8,15,18H,9-13H2,1-4H3
InChIKeyRIFYJUOTZXVUGO-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine (CID 62091433) is 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine is CNCc1ccc(N2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is RIFYJUOTZXVUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)15-9-11-19(12-10-15)16-7-5-14(6-8-16)13-18-4/h5-8,15,18H,9-13H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine?
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62091433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).