1-hex-1-yn-3-yl-3-methylpiperidin-4-amine

C12H22N2 — CID 106223617

IUPAC1-hex-1-yn-3-yl-3-methylpiperidin-4-amine
SMILESC#CC(CCC)N1CCC(N)C(C)C1
InChIInChI=1S/C12H22N2/c1-4-6-11(5-2)14-8-7-12(13)10(3)9-14/h2,10-12H,4,6-9,13H2,1,3H3
InChIKeyBZQDDZCQKPWOHY-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.46
Rot. Bonds3

About 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine

1-hex-1-yn-3-yl-3-methylpiperidin-4-amine (PubChem CID 106223617) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-hex-1-yn-3-yl-3-methylpiperidin-4-amine
PubChem CID106223617
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-hex-1-yn-3-yl-3-methylpiperidin-4-amine
SMILESC#CC(CCC)N1CCC(N)C(C)C1
InChIInChI=1S/C12H22N2/c1-4-6-11(5-2)14-8-7-12(13)10(3)9-14/h2,10-12H,4,6-9,13H2,1,3H3
InChIKeyBZQDDZCQKPWOHY-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine
CID 106223603
N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine
CID 106223599
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 79867648
9-hex-1-yn-3-yl-9-azabicyclo[3.3.1]nonan-3-one
CID 106223803
3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine
CID 106224689
2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol
CID 79879842
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1-heptan-4-ylpiperidin-4-amine
CID 29009442
N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine
CID 106223621
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine?
The IUPAC name of 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine (CID 106223617) is 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine is C#CC(CCC)N1CCC(N)C(C)C1.
What is the InChIKey of 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine?
The InChIKey is BZQDDZCQKPWOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-11(5-2)14-8-7-12(13)10(3)9-14/h2,10-12H,4,6-9,13H2,1,3H3.
What are the key properties of 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine?
1-hex-1-yn-3-yl-3-methylpiperidin-4-amine has a molecular weight of 194.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-yn-3-yl-3-methylpiperidin-4-amine is sourced from PubChem (CID 106223617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).