2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine

C15H32N4 — CID 116946591

IUPAC2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(C(N)C(C)(C)CN2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-15(2,12-19-10-6-17-7-11-19)14(16)13-4-8-18(3)9-5-13/h13-14,17H,4-12,16H2,1-3H3
InChIKeyMKAHKLUEYXIAAN-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.59
Rot. Bonds4

About 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine

2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116946591) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116946591
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(C(N)C(C)(C)CN2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-15(2,12-19-10-6-17-7-11-19)14(16)13-4-8-18(3)9-5-13/h13-14,17H,4-12,16H2,1-3H3
InChIKeyMKAHKLUEYXIAAN-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-3-yl)-3-piperazin-1-ylpropan-1-amine
CID 116946592
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
CID 116946567
4-amino-3,3-dimethyl-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116938352
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
CID 116946834
N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960873
1-piperazin-1-ylbutane-2,2-diamine
CID 57309719
1-(2,2-dimethylpentyl)piperazine
CID 83530331
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
3-(piperazin-1-ylmethyl)pentane-1,2,3-triamine
CID 54264618
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
CID 116935927

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine (CID 116946591) is 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine is CN1CCC(C(N)C(C)(C)CN2CCNCC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is MKAHKLUEYXIAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-15(2,12-19-10-6-17-7-11-19)14(16)13-4-8-18(3)9-5-13/h13-14,17H,4-12,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
2,2-dimethyl-1-(1-methylpiperidin-4-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-4-yl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).