N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline

C17H22N2O — CID 83949682

IUPACN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCc3ccco3)cc2)CC1
InChIInChI=1S/C17H22N2O/c1-14-8-10-19(11-9-14)16-6-4-15(5-7-16)18-13-17-3-2-12-20-17/h2-7,12,14,18H,8-11,13H2,1H3
InChIKeyBZDNPXSLSZQYNE-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.13
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline

N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline (PubChem CID 83949682) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
PubChem CID83949682
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCc3ccco3)cc2)CC1
InChIInChI=1S/C17H22N2O/c1-14-8-10-19(11-9-14)16-6-4-15(5-7-16)18-13-17-3-2-12-20-17/h2-7,12,14,18H,8-11,13H2,1H3
InChIKeyBZDNPXSLSZQYNE-UHFFFAOYSA-N
XLogP4.13
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-N-(furan-2-ylmethyl)-2-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112871445
N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
CID 109117644
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113132124
N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline
CID 43740320
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205080
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline
CID 110653399
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888
N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949822
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
1-(furan-2-ylmethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 8626316
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(furan-2-ylmethyl)thiourea
CID 6924142

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline (CID 83949682) is N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccc(NCc3ccco3)cc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
The InChIKey is BZDNPXSLSZQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-8-10-19(11-9-14)16-6-4-15(5-7-16)18-13-17-3-2-12-20-17/h2-7,12,14,18H,8-11,13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline has a molecular weight of 270.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 83949682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).