N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine

C15H28N4 — CID 54860858

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N4/c1-3-7-18-8-4-15(5-9-18)16-6-10-19-13-11-17(2)12-14-19/h1,15-16H,4-14H2,2H3
InChIKeyRNZHQWUWVWBCII-UHFFFAOYSA-N
MW264.42 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine

N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 54860858) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID54860858
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N4/c1-3-7-18-8-4-15(5-9-18)16-6-10-19-13-11-17(2)12-14-19/h1,15-16H,4-14H2,2H3
InChIKeyRNZHQWUWVWBCII-UHFFFAOYSA-N
XLogP-0.08
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 43775828
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxothian-4-amine
CID 54981584

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine (CID 54860858) is N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCCN2CCN(C)CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is RNZHQWUWVWBCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-7-18-8-4-15(5-9-18)16-6-10-19-13-11-17(2)12-14-19/h1,15-16H,4-14H2,2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine?
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 264.42 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 54860858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).