5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

C15H29FN4O — CID 134339837

IUPAC5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCN1CC(N)C(N2CCC3(CC2)CN(C)CCO3)C(F)C1
InChIInChI=1S/C15H29FN4O/c1-18-7-8-21-15(11-18)3-5-20(6-4-15)14-12(16)9-19(2)10-13(14)17/h12-14H,3-11,17H2,1-2H3
InChIKeyICGKVNSFLCIBMC-UHFFFAOYSA-N
MW300.42 g/mol
LogP-0.24
Rot. Bonds1

About 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (PubChem CID 134339837) has the molecular formula C15H29FN4O and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
PubChem CID134339837
Molecular FormulaC15H29FN4O
Molecular Weight300.42 g/mol
Exact Mass300.23
IUPAC Name5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCN1CC(N)C(N2CCC3(CC2)CN(C)CCO3)C(F)C1
InChIInChI=1S/C15H29FN4O/c1-18-7-8-21-15(11-18)3-5-20(6-4-15)14-12(16)9-19(2)10-13(14)17/h12-14H,3-11,17H2,1-2H3
InChIKeyICGKVNSFLCIBMC-UHFFFAOYSA-N
XLogP-0.24
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Fluoro-4-(4-morpholin-4-ylpiperidin-1-yl)piperidin-3-amine
CID 124022758
5-Fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
CID 124033578
5-Fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]piperidin-3-amine
CID 130280097
5-Fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
CID 138645806
5-Fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-5-propylpiperidin-3-amine
CID 156281001
5-Fluoro-4-(4-morpholin-4-ylpiperidin-1-yl)-1-pentylpiperidin-3-amine
CID 156302535
5-Fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
CID 163542468
4-(4-Methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
CID 130280162
4-[4-[(Dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine
CID 134321587
(2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine
CID 141468066
(2R,6S)-2-methyl-6-[(4-piperazin-1-ylpiperidin-1-yl)methyl]morpholine
CID 141468130
2-(Methoxymethyl)-4-piperidin-4-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 144441665

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The IUPAC name of 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (CID 134339837) is 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is CN1CC(N)C(N2CCC3(CC2)CN(C)CCO3)C(F)C1.
What is the InChIKey of 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The InChIKey is ICGKVNSFLCIBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN4O/c1-18-7-8-21-15(11-18)3-5-20(6-4-15)14-12(16)9-19(2)10-13(14)17/h12-14H,3-11,17H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine has a molecular weight of 300.42 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is sourced from PubChem (CID 134339837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).