1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine

C17H34N4 — CID 165136754

IUPAC1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
SMILESCCCN1CC(CN2CCN(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C17H34N4/c1-3-6-20-14-16(15-20)13-19-9-11-21(12-10-19)17-4-7-18(2)8-5-17/h16-17H,3-15H2,1-2H3
InChIKeyNFAHGABHJJCZTD-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.04
Rot. Bonds5

About 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine

1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine (PubChem CID 165136754) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
PubChem CID165136754
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
SMILESCCCN1CC(CN2CCN(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C17H34N4/c1-3-6-20-14-16(15-20)13-19-9-11-21(12-10-19)17-4-7-18(2)8-5-17/h16-17H,3-15H2,1-2H3
InChIKeyNFAHGABHJJCZTD-UHFFFAOYSA-N
XLogP1.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 167265161
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
1-(1-iodopiperidin-4-yl)-4-propylpiperazine
CID 170084065
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 166466704
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235
4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 170063897
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine (CID 165136754) is 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine is CCCN1CC(CN2CCN(C3CCN(C)CC3)CC2)C1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine?
The InChIKey is NFAHGABHJJCZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-3-6-20-14-16(15-20)13-19-9-11-21(12-10-19)17-4-7-18(2)8-5-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine?
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine has a molecular weight of 294.49 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine is sourced from PubChem (CID 165136754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).