1-but-3-ynyl-N,4-dimethylpiperidin-4-amine

C11H20N2 — CID 115305025

IUPAC1-but-3-ynyl-N,4-dimethylpiperidin-4-amine
SMILESC#CCCN1CCC(C)(NC)CC1
InChIInChI=1S/C11H20N2/c1-4-5-8-13-9-6-11(2,12-3)7-10-13/h1,12H,5-10H2,2-3H3
InChIKeyBWPUZKSEJFVLIS-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds3

About 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine

1-but-3-ynyl-N,4-dimethylpiperidin-4-amine (PubChem CID 115305025) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-but-3-ynyl-N,4-dimethylpiperidin-4-amine
PubChem CID115305025
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-but-3-ynyl-N,4-dimethylpiperidin-4-amine
SMILESC#CCCN1CCC(C)(NC)CC1
InChIInChI=1S/C11H20N2/c1-4-5-8-13-9-6-11(2,12-3)7-10-13/h1,12H,5-10H2,2-3H3
InChIKeyBWPUZKSEJFVLIS-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
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-(2-cyclopropylethyl)-N,4-dimethylpiperidin-4-amine
CID 115305380
2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
CID 114385516
1-but-3-ynyl-4-methylpiperazine
CID 11593463
1-but-3-ynylazetidine
CID 130164474
3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115304874
N,N-dimethyl-3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305448
N,4-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperidin-4-amine
CID 106455102
N,4-dimethyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115305084
1-but-3-ynylpiperazine
CID 24700258
2-(4-but-3-ynylpiperazin-1-yl)ethanamine
CID 170918250
1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304923
1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride
CID 66545499

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine (CID 115305025) is 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine is C#CCCN1CCC(C)(NC)CC1.
What is the InChIKey of 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine?
The InChIKey is BWPUZKSEJFVLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-8-13-9-6-11(2,12-3)7-10-13/h1,12H,5-10H2,2-3H3.
What are the key properties of 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine?
1-but-3-ynyl-N,4-dimethylpiperidin-4-amine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115305025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).