1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane

C15H28F3N3 — CID 75478926

IUPAC1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESFC(F)(F)CN1CCCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H28F3N3/c16-15(17,18)14-21-11-5-10-20(12-13-21)9-4-8-19-6-2-1-3-7-19/h1-14H2
InChIKeyAVGVLVQLORCVSR-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane

1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane (PubChem CID 75478926) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane
PubChem CID75478926
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESFC(F)(F)CN1CCCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H28F3N3/c16-15(17,18)14-21-11-5-10-20(12-13-21)9-4-8-19-6-2-1-3-7-19/h1-14H2
InChIKeyAVGVLVQLORCVSR-UHFFFAOYSA-N
XLogP2.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
The IUPAC name of 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane (CID 75478926) is 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane.
What is the SMILES notation for 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
The canonical SMILES for 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane is FC(F)(F)CN1CCCN(CCCN2CCCCC2)CC1.
What is the InChIKey of 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
The InChIKey is AVGVLVQLORCVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c16-15(17,18)14-21-11-5-10-20(12-13-21)9-4-8-19-6-2-1-3-7-19/h1-14H2.
What are the key properties of 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane has a molecular weight of 307.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane is sourced from PubChem (CID 75478926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).