[2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol

C16H29F3N2O — CID 86785650

IUPAC[2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol
SMILESOCC1CCCCCC1NC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C16H29F3N2O/c17-16(18,19)8-11-21-9-6-14(7-10-21)20-15-5-3-1-2-4-13(15)12-22/h13-15,20,22H,1-12H2
InChIKeyKEDSNRCFWQDXGS-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.93
Rot. Bonds5

About [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol

[2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol (PubChem CID 86785650) has the molecular formula C16H29F3N2O and a molecular weight of 322.42 g/mol. Its IUPAC name is [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol.

Molecular Properties

Compound Name[2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol
PubChem CID86785650
Molecular FormulaC16H29F3N2O
Molecular Weight322.42 g/mol
Exact Mass322.22
IUPAC Name[2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol
SMILESOCC1CCCCCC1NC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C16H29F3N2O/c17-16(18,19)8-11-21-9-6-14(7-10-21)20-15-5-3-1-2-4-13(15)12-22/h13-15,20,22H,1-12H2
InChIKeyKEDSNRCFWQDXGS-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol?
The IUPAC name of [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol (CID 86785650) is [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol.
What is the SMILES notation for [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol?
The canonical SMILES for [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol is OCC1CCCCCC1NC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol?
The InChIKey is KEDSNRCFWQDXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2O/c17-16(18,19)8-11-21-9-6-14(7-10-21)20-15-5-3-1-2-4-13(15)12-22/h13-15,20,22H,1-12H2.
What are the key properties of [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol?
[2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol has a molecular weight of 322.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cycloheptyl]methanol is sourced from PubChem (CID 86785650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).