1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol

C15H22F2N2O — CID 81116508

IUPAC1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(N)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H22F2N2O/c1-15(20)3-6-19(7-4-15)5-2-14(18)11-8-12(16)10-13(17)9-11/h8-10,14,20H,2-7,18H2,1H3
InChIKeyMRPKAJBNNBWBKS-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.20
Rot. Bonds4

About 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol

1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol (PubChem CID 81116508) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
PubChem CID81116508
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(N)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H22F2N2O/c1-15(20)3-6-19(7-4-15)5-2-14(18)11-8-12(16)10-13(17)9-11/h8-10,14,20H,2-7,18H2,1H3
InChIKeyMRPKAJBNNBWBKS-UHFFFAOYSA-N
XLogP2.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol (CID 81116508) is 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol is CC1(O)CCN(CCC(N)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol?
The InChIKey is MRPKAJBNNBWBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-15(20)3-6-19(7-4-15)5-2-14(18)11-8-12(16)10-13(17)9-11/h8-10,14,20H,2-7,18H2,1H3.
What are the key properties of 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol?
1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol has a molecular weight of 284.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81116508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).