1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine

C13H27N3 — CID 114538087

IUPAC1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
SMILESCC1CN(CC2CCNCC2)CC(C)N1C
InChIInChI=1S/C13H27N3/c1-11-8-16(9-12(2)15(11)3)10-13-4-6-14-7-5-13/h11-14H,4-10H2,1-3H3
InChIKeyNTAUCLZSVWPUJX-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds2

About 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine

1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine (PubChem CID 114538087) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
PubChem CID114538087
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
SMILESCC1CN(CC2CCNCC2)CC(C)N1C
InChIInChI=1S/C13H27N3/c1-11-8-16(9-12(2)15(11)3)10-13-4-6-14-7-5-13/h11-14H,4-10H2,1-3H3
InChIKeyNTAUCLZSVWPUJX-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)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

(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
CID 174261411
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride
CID 120848820
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927
5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 146558610
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
(1R,5S)-6-ethoxy-3-(piperidin-4-ylmethyl)-3-azabicyclo[3.1.0]hexane
CID 176695256
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
The IUPAC name of 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine (CID 114538087) is 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine.
What is the SMILES notation for 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
The canonical SMILES for 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine is CC1CN(CC2CCNCC2)CC(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
The InChIKey is NTAUCLZSVWPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-8-16(9-12(2)15(11)3)10-13-4-6-14-7-5-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 2 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-(piperidin-4-ylmethyl)piperazine is sourced from PubChem (CID 114538087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).