N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

C18H29FN2 — CID 63070362

IUPACN-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCN(c2ccc(CNC(C)(C)C)cc2F)CC1
InChIInChI=1S/C18H29FN2/c1-17(2,3)20-13-14-6-7-16(15(19)12-14)21-10-8-18(4,5)9-11-21/h6-7,12,20H,8-11,13H2,1-5H3
InChIKeyKOTPLXCQIUYNLU-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.34
Rot. Bonds3

About N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63070362) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID63070362
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCN(c2ccc(CNC(C)(C)C)cc2F)CC1
InChIInChI=1S/C18H29FN2/c1-17(2,3)20-13-14-6-7-16(15(19)12-14)21-10-8-18(4,5)9-11-21/h6-7,12,20H,8-11,13H2,1-5H3
InChIKeyKOTPLXCQIUYNLU-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 63070362) is N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is CC1(C)CCN(c2ccc(CNC(C)(C)C)cc2F)CC1.
What is the InChIKey of N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KOTPLXCQIUYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-17(2,3)20-13-14-6-7-16(15(19)12-14)21-10-8-18(4,5)9-11-21/h6-7,12,20H,8-11,13H2,1-5H3.
What are the key properties of N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 4.34, 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)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63070362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).