2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine

C15H32N4 — CID 116946592

IUPAC2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCCC(C(N)C(C)(C)CN2CCNCC2)C1
InChIInChI=1S/C15H32N4/c1-15(2,12-19-9-6-17-7-10-19)14(16)13-5-4-8-18(3)11-13/h13-14,17H,4-12,16H2,1-3H3
InChIKeyKOWGZOFZIDHDBN-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.59
Rot. Bonds4

About 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine

2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116946592) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116946592
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCCC(C(N)C(C)(C)CN2CCNCC2)C1
InChIInChI=1S/C15H32N4/c1-15(2,12-19-9-6-17-7-10-19)14(16)13-5-4-8-18(3)11-13/h13-14,17H,4-12,16H2,1-3H3
InChIKeyKOWGZOFZIDHDBN-UHFFFAOYSA-N
XLogP0.59
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116946591
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
CID 116946834
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
CID 116946567
1-cyclobutyl-4-piperazin-1-ylbutan-1-amine
CID 116942063
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
2-amino-2-methyl-1-(1-methylpiperidin-3-yl)propan-1-ol
CID 116836135
2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine
CID 165347854
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
CID 116949940
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960873

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine (CID 116946592) is 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine is CN1CCCC(C(N)C(C)(C)CN2CCNCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is KOWGZOFZIDHDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-15(2,12-19-9-6-17-7-10-19)14(16)13-5-4-8-18(3)11-13/h13-14,17H,4-12,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine?
2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 268.45 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).