6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine

C19H22FN3O2 — CID 155021544

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(CNc2ccc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C19H22FN3O2/c20-16-3-1-15(2-4-16)13-21-17-5-6-18(22-14-17)23-9-7-19(8-10-23)24-11-12-25-19/h1-6,14,21H,7-13H2
InChIKeyUCKGWBYJEPBBFC-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.18
Rot. Bonds4

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 155021544) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
PubChem CID155021544
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(CNc2ccc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C19H22FN3O2/c20-16-3-1-15(2-4-16)13-21-17-5-6-18(22-14-17)23-9-7-19(8-10-23)24-11-12-25-19/h1-6,14,21H,7-13H2
InChIKeyUCKGWBYJEPBBFC-UHFFFAOYSA-N
XLogP3.18
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine (CID 155021544) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine is Fc1ccc(CNc2ccc(N3CCC4(CC3)OCCO4)nc2)cc1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is UCKGWBYJEPBBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-3-1-15(2-4-16)13-21-17-5-6-18(22-14-17)23-9-7-19(8-10-23)24-11-12-25-19/h1-6,14,21H,7-13H2.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 343.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 155021544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).