1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine

C22H31N3O — CID 77091017

IUPAC1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CCN(Cc3ccc(-c4ccco4)cc3)CC2)CC1
InChIInChI=1S/C22H31N3O/c1-23-12-14-25(15-13-23)18-20-8-10-24(11-9-20)17-19-4-6-21(7-5-19)22-3-2-16-26-22/h2-7,16,20H,8-15,17-18H2,1H3
InChIKeyGLBKPURYFMBLCB-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.41
Rot. Bonds5

About 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine

1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine (PubChem CID 77091017) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
PubChem CID77091017
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CCN(Cc3ccc(-c4ccco4)cc3)CC2)CC1
InChIInChI=1S/C22H31N3O/c1-23-12-14-25(15-13-23)18-20-8-10-24(11-9-20)17-19-4-6-21(7-5-19)22-3-2-16-26-22/h2-7,16,20H,8-15,17-18H2,1H3
InChIKeyGLBKPURYFMBLCB-UHFFFAOYSA-N
XLogP3.41
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 77082244
1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
CID 77081012
5-[(1-benzylpiperidin-4-yl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 134077355
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
CID 163258700
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
4-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503695
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile
CID 131903355

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine (CID 77091017) is 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine is CN1CCN(CC2CCN(Cc3ccc(-c4ccco4)cc3)CC2)CC1.
What is the InChIKey of 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine?
The InChIKey is GLBKPURYFMBLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-23-12-14-25(15-13-23)18-20-8-10-24(11-9-20)17-19-4-6-21(7-5-19)22-3-2-16-26-22/h2-7,16,20H,8-15,17-18H2,1H3.
What are the key properties of 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine?
1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine has a molecular weight of 353.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 77091017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).