N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine

C10H22FN3 — CID 174304939

IUPACN'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
SMILESFNCCCCNCC1CCCCN1
InChIInChI=1S/C10H22FN3/c11-14-8-4-3-6-12-9-10-5-1-2-7-13-10/h10,12-14H,1-9H2
InChIKeyOKAIWONSJYFWHS-UHFFFAOYSA-N
MW203.30 g/mol
LogP0.97
Rot. Bonds7

About N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine

N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine (PubChem CID 174304939) has the molecular formula C10H22FN3 and a molecular weight of 203.30 g/mol. Its IUPAC name is N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
PubChem CID174304939
Molecular FormulaC10H22FN3
Molecular Weight203.30 g/mol
Exact Mass203.18
IUPAC NameN'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
SMILESFNCCCCNCC1CCCCN1
InChIInChI=1S/C10H22FN3/c11-14-8-4-3-6-12-9-10-5-1-2-7-13-10/h10,12-14H,1-9H2
InChIKeyOKAIWONSJYFWHS-UHFFFAOYSA-N
XLogP0.97
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106333681
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745

Frequently Asked Questions

What is the IUPAC name of N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine (CID 174304939) is N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine is FNCCCCNCC1CCCCN1.
What is the InChIKey of N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine?
The InChIKey is OKAIWONSJYFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN3/c11-14-8-4-3-6-12-9-10-5-1-2-7-13-10/h10,12-14H,1-9H2.
What are the key properties of N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine?
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine has a molecular weight of 203.30 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 174304939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).