N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C18H30N2 — CID 63069986

IUPACN-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-17(2,3)19-14-15-6-8-16(9-7-15)20-12-10-18(4,5)11-13-20/h6-9,19H,10-14H2,1-5H3
InChIKeyGZOPPIBMJMKGAG-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds3

About N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63069986) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63069986
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-17(2,3)19-14-15-6-8-16(9-7-15)20-12-10-18(4,5)11-13-20/h6-9,19H,10-14H2,1-5H3
InChIKeyGZOPPIBMJMKGAG-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
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 N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 63069986) is N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is CC1(C)CCN(c2ccc(CNC(C)(C)C)cc2)CC1.
What is the InChIKey of N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GZOPPIBMJMKGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-17(2,3)19-14-15-6-8-16(9-7-15)20-12-10-18(4,5)11-13-20/h6-9,19H,10-14H2,1-5H3.
What are the key properties of N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63069986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).