2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine

C15H32N4 — CID 116952550

IUPAC2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine
SMILESCNC(C1CCN(C)CC1)C1CCN(CCN)CC1
InChIInChI=1S/C15H32N4/c1-17-15(13-3-8-18(2)9-4-13)14-5-10-19(11-6-14)12-7-16/h13-15,17H,3-12,16H2,1-2H3
InChIKeyPDMDCVUCQWGELT-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.59
Rot. Bonds5

About 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine

2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine (PubChem CID 116952550) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine
PubChem CID116952550
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine
SMILESCNC(C1CCN(C)CC1)C1CCN(CCN)CC1
InChIInChI=1S/C15H32N4/c1-17-15(13-3-8-18(2)9-4-13)14-5-10-19(11-6-14)12-7-16/h13-15,17H,3-12,16H2,1-2H3
InChIKeyPDMDCVUCQWGELT-UHFFFAOYSA-N
XLogP0.59
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine
CID 116952547
1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
CID 116952523
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 116907385
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
methylamino-(1-methylpiperidin-4-yl)methanethiol
CID 116954601
1-(azetidin-3-yl)-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116950852
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine (CID 116952550) is 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine is CNC(C1CCN(C)CC1)C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine?
The InChIKey is PDMDCVUCQWGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-17-15(13-3-8-18(2)9-4-13)14-5-10-19(11-6-14)12-7-16/h13-15,17H,3-12,16H2,1-2H3.
What are the key properties of 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine?
2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine has a molecular weight of 268.45 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 116952550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).