N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine

C21H35FN4 — CID 45234316

IUPACN'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CCCN(C2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C21H35FN4/c1-23(2)15-16-24(3)19-7-6-12-26(17-19)18-10-13-25(14-11-18)21-9-5-4-8-20(21)22/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3
InChIKeyWIYOCAKOTMEWPQ-UHFFFAOYSA-N
MW362.54 g/mol
LogP2.75
Rot. Bonds6

About N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 45234316) has the molecular formula C21H35FN4 and a molecular weight of 362.54 g/mol. Its IUPAC name is N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID45234316
Molecular FormulaC21H35FN4
Molecular Weight362.54 g/mol
Exact Mass362.28
IUPAC NameN'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CCCN(C2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C21H35FN4/c1-23(2)15-16-24(3)19-7-6-12-26(17-19)18-10-13-25(14-11-18)21-9-5-4-8-20(21)22/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3
InChIKeyWIYOCAKOTMEWPQ-UHFFFAOYSA-N
XLogP2.75
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 45234316) is N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1CCCN(C2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is WIYOCAKOTMEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35FN4/c1-23(2)15-16-24(3)19-7-6-12-26(17-19)18-10-13-25(14-11-18)21-9-5-4-8-20(21)22/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3.
What are the key properties of N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 362.54 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 45234316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).