N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine

C16H32N4 — CID 145484941

IUPACN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4/c1-15(2)17-6-9-19-10-12-20(13-11-19)14-16-4-7-18(3)8-5-16/h16-17H,1,4-14H2,2-3H3
InChIKeyYLNRQEYNMOPMTK-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.07
Rot. Bonds6

About N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine

N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine (PubChem CID 145484941) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine
PubChem CID145484941
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4/c1-15(2)17-6-9-19-10-12-20(13-11-19)14-16-4-7-18(3)8-5-16/h16-17H,1,4-14H2,2-3H3
InChIKeyYLNRQEYNMOPMTK-UHFFFAOYSA-N
XLogP1.07
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine?
The IUPAC name of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine (CID 145484941) is N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine is C=C(C)NCCN1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine?
The InChIKey is YLNRQEYNMOPMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-15(2)17-6-9-19-10-12-20(13-11-19)14-16-4-7-18(3)8-5-16/h16-17H,1,4-14H2,2-3H3.
What are the key properties of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine?
N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine has a molecular weight of 280.46 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 145484941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).