1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol

C19H25ClN2O2 — CID 110929359

IUPAC1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H25ClN2O2/c20-18-5-2-1-4-17(18)19-7-6-16(24-19)14-21-10-3-11-22-12-8-15(23)9-13-22/h1-2,4-7,15,21,23H,3,8-14H2
InChIKeyRLQREFYBOGAHRM-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.54
Rot. Bonds7

About 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol

1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol (PubChem CID 110929359) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
PubChem CID110929359
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H25ClN2O2/c20-18-5-2-1-4-17(18)19-7-6-16(24-19)14-21-10-3-11-22-12-8-15(23)9-13-22/h1-2,4-7,15,21,23H,3,8-14H2
InChIKeyRLQREFYBOGAHRM-UHFFFAOYSA-N
XLogP3.54
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 119111981
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 119107685
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210309
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 119122334

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol (CID 110929359) is 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol is OC1CCN(CCCNCc2ccc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
The InChIKey is RLQREFYBOGAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-18-5-2-1-4-17(18)19-7-6-16(24-19)14-21-10-3-11-22-12-8-15(23)9-13-22/h1-2,4-7,15,21,23H,3,8-14H2.
What are the key properties of 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol has a molecular weight of 348.87 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 110929359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).