1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine

C13H27N3 — CID 120854846

IUPAC1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
SMILESCC1C(C)N(CC2CCNCC2)CCN1C
InChIInChI=1S/C13H27N3/c1-11-12(2)16(9-8-15(11)3)10-13-4-6-14-7-5-13/h11-14H,4-10H2,1-3H3
InChIKeyQSIJKTDHNUASNU-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds2

About 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine

1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine (PubChem CID 120854846) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
PubChem CID120854846
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
SMILESCC1C(C)N(CC2CCNCC2)CCN1C
InChIInChI=1S/C13H27N3/c1-11-12(2)16(9-8-15(11)3)10-13-4-6-14-7-5-13/h11-14H,4-10H2,1-3H3
InChIKeyQSIJKTDHNUASNU-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

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Related Compounds

2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
1,2,3,4-tetramethylpiperazine
CID 66583347
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120848952
2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine
CID 115741593
2,3-dimethyl-4-[[(3S)-pyrrolidin-3-yl]methyl]thiomorpholine
CID 164655319
2-(2,3,4-trimethylpiperazin-1-yl)ethanol
CID 127732557
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride
CID 120849001

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
The IUPAC name of 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine (CID 120854846) is 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine.
What is the SMILES notation for 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
The canonical SMILES for 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine is CC1C(C)N(CC2CCNCC2)CCN1C.
What is the InChIKey of 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
The InChIKey is QSIJKTDHNUASNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-12(2)16(9-8-15(11)3)10-13-4-6-14-7-5-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine?
1,2,3-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 1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine is sourced from PubChem (CID 120854846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).