3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol

C10H20F2N2O2 — CID 165445168

IUPAC3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol
SMILESCOCCCNCC1(O)CCNCC1(F)F
InChIInChI=1S/C10H20F2N2O2/c1-16-6-2-4-13-7-9(15)3-5-14-8-10(9,11)12/h13-15H,2-8H2,1H3
InChIKeyRZNFMJYUHHNNFH-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.03
Rot. Bonds6

About 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol

3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol (PubChem CID 165445168) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol
PubChem CID165445168
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol
SMILESCOCCCNCC1(O)CCNCC1(F)F
InChIInChI=1S/C10H20F2N2O2/c1-16-6-2-4-13-7-9(15)3-5-14-8-10(9,11)12/h13-15H,2-8H2,1H3
InChIKeyRZNFMJYUHHNNFH-UHFFFAOYSA-N
XLogP-0.03
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
The IUPAC name of 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol (CID 165445168) is 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
The canonical SMILES for 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol is COCCCNCC1(O)CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
The InChIKey is RZNFMJYUHHNNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-16-6-2-4-13-7-9(15)3-5-14-8-10(9,11)12/h13-15H,2-8H2,1H3.
What are the key properties of 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol has a molecular weight of 238.28 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(3-methoxypropylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 165445168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).