[4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine

C18H35FN4O — CID 171641327

IUPAC[4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine
SMILESCN1CCC(OC2CCC(F)(CN3CCN(CN)CC3)CC2)CC1
InChIInChI=1S/C18H35FN4O/c1-21-8-4-17(5-9-21)24-16-2-6-18(19,7-3-16)14-22-10-12-23(15-20)13-11-22/h16-17H,2-15,20H2,1H3
InChIKeyPEDVQEDVDPSYGE-UHFFFAOYSA-N
MW342.50 g/mol
LogP1.28
Rot. Bonds5

About [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine

[4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine (PubChem CID 171641327) has the molecular formula C18H35FN4O and a molecular weight of 342.50 g/mol. Its IUPAC name is [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine.

Molecular Properties

Compound Name[4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine
PubChem CID171641327
Molecular FormulaC18H35FN4O
Molecular Weight342.50 g/mol
Exact Mass342.28
IUPAC Name[4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine
SMILESCN1CCC(OC2CCC(F)(CN3CCN(CN)CC3)CC2)CC1
InChIInChI=1S/C18H35FN4O/c1-21-8-4-17(5-9-21)24-16-2-6-18(19,7-3-16)14-22-10-12-23(15-20)13-11-22/h16-17H,2-15,20H2,1H3
InChIKeyPEDVQEDVDPSYGE-UHFFFAOYSA-N
XLogP1.28
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine?
The IUPAC name of [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine (CID 171641327) is [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine.
What is the SMILES notation for [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine?
The canonical SMILES for [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine is CN1CCC(OC2CCC(F)(CN3CCN(CN)CC3)CC2)CC1.
What is the InChIKey of [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine?
The InChIKey is PEDVQEDVDPSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN4O/c1-21-8-4-17(5-9-21)24-16-2-6-18(19,7-3-16)14-22-10-12-23(15-20)13-11-22/h16-17H,2-15,20H2,1H3.
What are the key properties of [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine?
[4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine has a molecular weight of 342.50 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine is sourced from PubChem (CID 171641327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).