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

C16H33N3 — CID 170616944

IUPAC2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2C(C)CN(C)CC2C)CC1
InChIInChI=1S/C16H33N3/c1-13(2)18-8-6-16(7-9-18)12-19-14(3)10-17(5)11-15(19)4/h13-16H,6-12H2,1-5H3
InChIKeyVNGPFJCMGBSPOZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.13
Rot. Bonds3

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

2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 170616944) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID170616944
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2C(C)CN(C)CC2C)CC1
InChIInChI=1S/C16H33N3/c1-13(2)18-8-6-16(7-9-18)12-19-14(3)10-17(5)11-15(19)4/h13-16H,6-12H2,1-5H3
InChIKeyVNGPFJCMGBSPOZ-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176984317
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
CID 170616937
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 171564586
ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616900
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 170616944) is 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)N1CCC(CN2C(C)CN(C)CC2C)CC1.
What is the InChIKey of 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is VNGPFJCMGBSPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)18-8-6-16(7-9-18)12-19-14(3)10-17(5)11-15(19)4/h13-16H,6-12H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 170616944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).