6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

C19H35N3 — CID 174276566

IUPAC6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CC1(CN2CC3C(CN4CCN(C)CC4)C3C2)CC1
InChIInChI=1S/C19H35N3/c1-15(2)10-19(4-5-19)14-22-12-17-16(18(17)13-22)11-21-8-6-20(3)7-9-21/h15-18H,4-14H2,1-3H3
InChIKeyBUMPCJBXARTMSK-UHFFFAOYSA-N
MW305.51 g/mol
LogP2.24
Rot. Bonds6

About 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 174276566) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID174276566
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CC1(CN2CC3C(CN4CCN(C)CC4)C3C2)CC1
InChIInChI=1S/C19H35N3/c1-15(2)10-19(4-5-19)14-22-12-17-16(18(17)13-22)11-21-8-6-20(3)7-9-21/h15-18H,4-14H2,1-3H3
InChIKeyBUMPCJBXARTMSK-UHFFFAOYSA-N
XLogP2.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine
CID 174349776
3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 171748388
(1S,4R,5R)-5-[(4-methylpiperazin-1-yl)methyl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azabicyclo[2.2.1]heptane
CID 174276432
9-fluoro-9-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane
CID 174276695
1-[[1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 171748431
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
CID 174276720
1-butan-2-yl-4-[[(3R)-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174276613
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276682
(3R)-3-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidine
CID 167196358

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (CID 174276566) is 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is CC(C)CC1(CN2CC3C(CN4CCN(C)CC4)C3C2)CC1.
What is the InChIKey of 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is BUMPCJBXARTMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-15(2)10-19(4-5-19)14-22-12-17-16(18(17)13-22)11-21-8-6-20(3)7-9-21/h15-18H,4-14H2,1-3H3.
What are the key properties of 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 305.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 174276566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).