2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane

C16H35N3 — CID 165137195

IUPAC2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
SMILESCC(C)C.CC1CN(C)CCN1CC1CCNCC1
InChIInChI=1S/C12H25N3.C4H10/c1-11-9-14(2)7-8-15(11)10-12-3-5-13-6-4-12;1-4(2)3/h11-13H,3-10H2,1-2H3;4H,1-3H3
InChIKeyZNFIWKWRZQPEHY-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds2

About 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane

2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane (PubChem CID 165137195) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane.

Molecular Properties

Compound Name2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
PubChem CID165137195
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
SMILESCC(C)C.CC1CN(C)CCN1CC1CCNCC1
InChIInChI=1S/C12H25N3.C4H10/c1-11-9-14(2)7-8-15(11)10-12-3-5-13-6-4-12;1-4(2)3/h11-13H,3-10H2,1-2H3;4H,1-3H3
InChIKeyZNFIWKWRZQPEHY-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
(2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine
CID 170954100
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 120854846
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
5-methyl-4-(piperidin-4-ylmethyl)-1,4-thiazepane 1,1-dioxide;hydrochloride
CID 120857963
(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine
CID 97039646
[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
CID 83821345
cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 71784715
3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 170263293

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane?
The IUPAC name of 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane (CID 165137195) is 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane.
What is the SMILES notation for 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane?
The canonical SMILES for 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane is CC(C)C.CC1CN(C)CCN1CC1CCNCC1.
What is the InChIKey of 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane?
The InChIKey is ZNFIWKWRZQPEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C4H10/c1-11-9-14(2)7-8-15(11)10-12-3-5-13-6-4-12;1-4(2)3/h11-13H,3-10H2,1-2H3;4H,1-3H3.
What are the key properties of 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane?
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane has a molecular weight of 269.48 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane is sourced from PubChem (CID 165137195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).