1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine

C16H33N3 — CID 114547090

IUPAC1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine
SMILESCCCC1(CN2CC(C)N(C)C(C)C2)CCNCC1
InChIInChI=1S/C16H33N3/c1-5-6-16(7-9-17-10-8-16)13-19-11-14(2)18(4)15(3)12-19/h14-15,17H,5-13H2,1-4H3
InChIKeyJUBBXIHZVHTOMZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

About 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine

1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine (PubChem CID 114547090) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine
PubChem CID114547090
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine
SMILESCCCC1(CN2CC(C)N(C)C(C)C2)CCNCC1
InChIInChI=1S/C16H33N3/c1-5-6-16(7-9-17-10-8-16)13-19-11-14(2)18(4)15(3)12-19/h14-15,17H,5-13H2,1-4H3
InChIKeyJUBBXIHZVHTOMZ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6S)-2,6-dimethyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 104959142
2-methyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 63129544
4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine
CID 113417902
N,N-dimethyl-1-[(4-propylpiperidin-4-yl)methyl]piperidin-4-amine
CID 63129344
3-methoxy-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 102963889
2,4-dimethyl-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 55178378
4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63129768
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine
CID 114547129
4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine
CID 114547073
N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 114539697
2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113335807

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine (CID 114547090) is 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine is CCCC1(CN2CC(C)N(C)C(C)C2)CCNCC1.
What is the InChIKey of 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine?
The InChIKey is JUBBXIHZVHTOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-6-16(7-9-17-10-8-16)13-19-11-14(2)18(4)15(3)12-19/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine?
1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 114547090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).