[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol

C16H24F2N2O — CID 63076088

IUPAC[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
SMILESCC(C)NCc1cc(F)c(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-11(2)19-9-12-7-14(17)16(15(18)8-12)20-6-4-3-5-13(20)10-21/h7-8,11,13,19,21H,3-6,9-10H2,1-2H3
InChIKeyHMPDCMPKZPJISO-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.81
Rot. Bonds5

About [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol

[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol (PubChem CID 63076088) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
PubChem CID63076088
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
SMILESCC(C)NCc1cc(F)c(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-11(2)19-9-12-7-14(17)16(15(18)8-12)20-6-4-3-5-13(20)10-21/h7-8,11,13,19,21H,3-6,9-10H2,1-2H3
InChIKeyHMPDCMPKZPJISO-UHFFFAOYSA-N
XLogP2.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63076607
N-[[4-(2-ethylazepan-1-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 104690768
[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
CID 63076262
[1-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]azepan-2-yl]methanol
CID 116635501
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848729
[1-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 114853905
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
CID 81294625
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635458
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893

Frequently Asked Questions

What is the IUPAC name of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol (CID 63076088) is [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol is CC(C)NCc1cc(F)c(N2CCCCC2CO)c(F)c1.
What is the InChIKey of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol?
The InChIKey is HMPDCMPKZPJISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11(2)19-9-12-7-14(17)16(15(18)8-12)20-6-4-3-5-13(20)10-21/h7-8,11,13,19,21H,3-6,9-10H2,1-2H3.
What are the key properties of [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol?
[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol has a molecular weight of 298.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol is sourced from PubChem (CID 63076088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).