N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine

C15H22F2N2 — CID 63669754

IUPACN-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2cccc(F)c2F)CC1
InChIInChI=1S/C15H22F2N2/c1-11(2)19-8-6-13(7-9-19)18-10-12-4-3-5-14(16)15(12)17/h3-5,11,13,18H,6-10H2,1-2H3
InChIKeyZWXRUSUTWZORKE-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine

N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 63669754) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID63669754
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2cccc(F)c2F)CC1
InChIInChI=1S/C15H22F2N2/c1-11(2)19-8-6-13(7-9-19)18-10-12-4-3-5-14(16)15(12)17/h3-5,11,13,18H,6-10H2,1-2H3
InChIKeyZWXRUSUTWZORKE-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701474
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[(3-methyl-2-nitrophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 58885086
N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 55225914
2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 103784734
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
CID 65073415

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine (CID 63669754) is N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCc2cccc(F)c2F)CC1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is ZWXRUSUTWZORKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-11(2)19-8-6-13(7-9-19)18-10-12-4-3-5-14(16)15(12)17/h3-5,11,13,18H,6-10H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 63669754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).