5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

C12H25FN2 — CID 167126911

IUPAC5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CC(N)CC(F)C1
InChIInChI=1S/C12H25FN2/c1-4-6-12(3,5-2)15-8-10(13)7-11(14)9-15/h10-11H,4-9,14H2,1-3H3
InChIKeyQPAGDWOYIYZHMO-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.33
Rot. Bonds4

About 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine

5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (PubChem CID 167126911) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
PubChem CID167126911
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
SMILESCCCC(C)(CC)N1CC(N)CC(F)C1
InChIInChI=1S/C12H25FN2/c1-4-6-12(3,5-2)15-8-10(13)7-11(14)9-15/h10-11H,4-9,14H2,1-3H3
InChIKeyQPAGDWOYIYZHMO-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-6,9-diazaspiro[4.5]decane
CID 28901865
9-Methyl-6,9-diazaspiro[4.5]decane
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2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
1-Tert-butylpiperidin-3-amine
CID 21029377
N,N,3-trimethylpiperidin-3-amine
CID 117000006
2-(3-Methylpiperidin-1-yl)propan-1-amine
CID 16641456
1-(3-Methylpiperidin-1-yl)propan-2-amine
CID 16783223
1-(3,5-Dimethylpiperidin-1-yl)propan-2-amine
CID 16794632
{1-[4-(Propan-2-yl)piperazin-1-yl]cyclopentyl}methanamine
CID 43585084
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
1-[(4-Methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 28294547

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The IUPAC name of 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine (CID 167126911) is 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is CCCC(C)(CC)N1CC(N)CC(F)C1.
What is the InChIKey of 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
The InChIKey is QPAGDWOYIYZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-4-6-12(3,5-2)15-8-10(13)7-11(14)9-15/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine?
5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine has a molecular weight of 216.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methylhexan-3-yl)piperidin-3-amine is sourced from PubChem (CID 167126911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).