N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine

C20H42N4 — CID 155702513

IUPACN,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine
SMILESCC(CCN(C)C(C)C)CN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C20H42N4/c1-18(2)22(5)11-6-19(3)16-23-12-14-24(15-13-23)17-20-7-9-21(4)10-8-20/h18-20H,6-17H2,1-5H3
InChIKeyXLNMXQVWBZAHHH-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.31
Rot. Bonds8

About N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine

N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine (PubChem CID 155702513) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine
PubChem CID155702513
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC NameN,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine
SMILESCC(CCN(C)C(C)C)CN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C20H42N4/c1-18(2)22(5)11-6-19(3)16-23-12-14-24(15-13-23)17-20-7-9-21(4)10-8-20/h18-20H,6-17H2,1-5H3
InChIKeyXLNMXQVWBZAHHH-UHFFFAOYSA-N
XLogP2.31
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine with MolForge

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Related Compounds

1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
CID 171788933
butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
CID 171788496
1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 175636197
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
CID 171788339
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
N-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanamine
CID 171641734
methyl-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]silane
CID 174027762
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine (CID 155702513) is N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine is CC(CCN(C)C(C)C)CN1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
The InChIKey is XLNMXQVWBZAHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4/c1-18(2)22(5)11-6-19(3)16-23-12-14-24(15-13-23)17-20-7-9-21(4)10-8-20/h18-20H,6-17H2,1-5H3.
What are the key properties of N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine?
N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine has a molecular weight of 338.58 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 155702513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).