N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine

C16H24ClFN2 — CID 114488894

IUPACN-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C)C1c1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFN2/c1-11(2)19-10-12-6-5-9-20(3)16(12)13-7-4-8-14(17)15(13)18/h4,7-8,11-12,16,19H,5-6,9-10H2,1-3H3
InChIKeyYQJBJLQXZGAAAI-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.86
Rot. Bonds4

About N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine

N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine (PubChem CID 114488894) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
PubChem CID114488894
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC NameN-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C)C1c1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFN2/c1-11(2)19-10-12-6-5-9-20(3)16(12)13-7-4-8-14(17)15(13)18/h4,7-8,11-12,16,19H,5-6,9-10H2,1-3H3
InChIKeyYQJBJLQXZGAAAI-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine (CID 114488894) is N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(C)C1c1cccc(Cl)c1F.
What is the InChIKey of N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
The InChIKey is YQJBJLQXZGAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-11(2)19-10-12-6-5-9-20(3)16(12)13-7-4-8-14(17)15(13)18/h4,7-8,11-12,16,19H,5-6,9-10H2,1-3H3.
What are the key properties of N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine has a molecular weight of 298.83 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114488894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).