1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine

C18H36N4O — CID 130429169

IUPAC1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine
SMILESCN1CCCC(COCC2CCNC(CN3CCNCC3)C2)C1
InChIInChI=1S/C18H36N4O/c1-21-8-2-3-17(12-21)15-23-14-16-4-5-20-18(11-16)13-22-9-6-19-7-10-22/h16-20H,2-15H2,1H3
InChIKeySHZRZORUTCKRCH-UHFFFAOYSA-N
MW324.51 g/mol
LogP0.62
Rot. Bonds6

About 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine

1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine (PubChem CID 130429169) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine
PubChem CID130429169
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine
SMILESCN1CCCC(COCC2CCNC(CN3CCNCC3)C2)C1
InChIInChI=1S/C18H36N4O/c1-21-8-2-3-17(12-21)15-23-14-16-4-5-20-18(11-16)13-22-9-6-19-7-10-22/h16-20H,2-15H2,1H3
InChIKeySHZRZORUTCKRCH-UHFFFAOYSA-N
XLogP0.62
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine?
The IUPAC name of 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine (CID 130429169) is 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine is CN1CCCC(COCC2CCNC(CN3CCNCC3)C2)C1.
What is the InChIKey of 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine?
The InChIKey is SHZRZORUTCKRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-21-8-2-3-17(12-21)15-23-14-16-4-5-20-18(11-16)13-22-9-6-19-7-10-22/h16-20H,2-15H2,1H3.
What are the key properties of 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine?
1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine has a molecular weight of 324.51 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1-methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine is sourced from PubChem (CID 130429169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).