1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine

C14H25N3 — CID 43775828

IUPAC1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
SMILESC#CCN1CCC(NC2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3/c1-3-8-17-11-6-14(7-12-17)15-13-4-9-16(2)10-5-13/h1,13-15H,4-12H2,2H3
InChIKeyMOHQMDHHSMUSSR-UHFFFAOYSA-N
MW235.37 g/mol
LogP0.77
Rot. Bonds3

About 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine

1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine (PubChem CID 43775828) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
PubChem CID43775828
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
SMILESC#CCN1CCC(NC2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3/c1-3-8-17-11-6-14(7-12-17)15-13-4-9-16(2)10-5-13/h1,13-15H,4-12H2,2H3
InChIKeyMOHQMDHHSMUSSR-UHFFFAOYSA-N
XLogP0.77
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
CID 64733626
1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 81343454
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 115719159
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol
CID 115723071
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
CID 43766456

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine (CID 43775828) is 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine is C#CCN1CCC(NC2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is MOHQMDHHSMUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-8-17-11-6-14(7-12-17)15-13-4-9-16(2)10-5-13/h1,13-15H,4-12H2,2H3.
What are the key properties of 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 43775828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).