1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine

C9H17FN2 — CID 164659460

IUPAC1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(F)CC1
InChIInChI=1S/C9H17FN2/c1-7(2)9(11)12-5-3-8(10)4-6-12/h7-8,11H,3-6H2,1-2H3/b11-9+
InChIKeyYBRGRWHQILNTTB-PKNBQFBNSA-N
MW172.25 g/mol
LogP2.05
Rot. Bonds1

About 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine

1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine (PubChem CID 164659460) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine
PubChem CID164659460
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(F)CC1
InChIInChI=1S/C9H17FN2/c1-7(2)9(11)12-5-3-8(10)4-6-12/h7-8,11H,3-6H2,1-2H3/b11-9+
InChIKeyYBRGRWHQILNTTB-PKNBQFBNSA-N
XLogP2.05
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Methylpiperidin-2-imine
CID 12449028
1-(4-Fluoropiperidin-1-yl)ethan-1-imine
CID 59020781
6-Fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
CID 155700517
6-Fluoro-1-propanimidoylpiperidin-2-imine
CID 155700518
6,6-Difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
CID 155700756
4-Methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
CID 166139789
3,3,3-Trifluoro-1-piperidin-1-ylpropan-1-imine
CID 63179133
2-Methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
CID 63181564
1-(3,3,3-Trifluoropropyl)piperidin-2-imine
CID 63226726
1-[3-(Trifluoromethyl)piperidin-1-yl]butan-1-imine
CID 65545343
1-[3-(Trifluoromethyl)piperidin-1-yl]propan-1-imine
CID 65545453
2-Methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-imine
CID 65545454

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine (CID 164659460) is 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1CCC(F)CC1.
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine?
The InChIKey is YBRGRWHQILNTTB-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H17FN2/c1-7(2)9(11)12-5-3-8(10)4-6-12/h7-8,11H,3-6H2,1-2H3/b11-9+.
What are the key properties of 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine?
1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine has a molecular weight of 172.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 164659460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).