1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine

C17H22N2O — CID 772071

IUPAC1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H22N2O/c1-15-4-6-16(7-5-15)13-18-8-10-19(11-9-18)14-17-3-2-12-20-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyGRCRYNJAJRZGQS-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.91
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine

1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine (PubChem CID 772071) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
PubChem CID772071
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H22N2O/c1-15-4-6-16(7-5-15)13-18-8-10-19(11-9-18)14-17-3-2-12-20-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyGRCRYNJAJRZGQS-UHFFFAOYSA-N
XLogP2.91
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 771867
1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane
CID 3824106
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 3743915
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
1'-(furan-2-ylmethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 97375673

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine (CID 772071) is 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine?
The InChIKey is GRCRYNJAJRZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-15-4-6-16(7-5-15)13-18-8-10-19(11-9-18)14-17-3-2-12-20-17/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine?
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 772071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).