[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine

C12H26N4 — CID 165449050

IUPAC[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine
SMILESCC1CNCCN1CC1CNCC(CN)C1
InChIInChI=1S/C12H26N4/c1-10-6-14-2-3-16(10)9-12-4-11(5-13)7-15-8-12/h10-12,14-15H,2-9,13H2,1H3
InChIKeyZJJPADWOQUAMDD-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.54
Rot. Bonds3

About [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine

[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine (PubChem CID 165449050) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine
PubChem CID165449050
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine
SMILESCC1CNCCN1CC1CNCC(CN)C1
InChIInChI=1S/C12H26N4/c1-10-6-14-2-3-16(10)9-12-4-11(5-13)7-15-8-12/h10-12,14-15H,2-9,13H2,1H3
InChIKeyZJJPADWOQUAMDD-UHFFFAOYSA-N
XLogP-0.54
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine (CID 165449050) is [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine is CC1CNCCN1CC1CNCC(CN)C1.
What is the InChIKey of [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine?
The InChIKey is ZJJPADWOQUAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-10-6-14-2-3-16(10)9-12-4-11(5-13)7-15-8-12/h10-12,14-15H,2-9,13H2,1H3.
What are the key properties of [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine?
[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine has a molecular weight of 226.37 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 165449050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).