1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol

C22H23ClN2O2 — CID 56741579

IUPAC1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)nc1
InChIInChI=1S/C22H23ClN2O2/c1-16-6-9-21(24-14-16)22(26)10-12-25(13-11-22)15-17-7-8-20(27-17)18-4-2-3-5-19(18)23/h2-9,14,26H,10-13,15H2,1H3
InChIKeyYOLRJOYRPBIOTD-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.79
Rot. Bonds4

About 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol

1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol (PubChem CID 56741579) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
PubChem CID56741579
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)nc1
InChIInChI=1S/C22H23ClN2O2/c1-16-6-9-21(24-14-16)22(26)10-12-25(13-11-22)15-17-7-8-20(27-17)18-4-2-3-5-19(18)23/h2-9,14,26H,10-13,15H2,1H3
InChIKeyYOLRJOYRPBIOTD-UHFFFAOYSA-N
XLogP4.79
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
4-(5-methyl-2-pyridinyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 91843452
1-[(2-amino-3-pyridinyl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56742663
(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
CID 70951099
4-(5-methyl-2-pyridinyl)-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-ol
CID 138806620
2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98575794
2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 56746995
(2S)-6-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26279277
4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56752658
6-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942221
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56753267
4-(5-methyl-2-pyridinyl)-1-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperidin-4-ol
CID 97278753

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol (CID 56741579) is 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol is Cc1ccc(C2(O)CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)nc1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The InChIKey is YOLRJOYRPBIOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-16-6-9-21(24-14-16)22(26)10-12-25(13-11-22)15-17-7-8-20(27-17)18-4-2-3-5-19(18)23/h2-9,14,26H,10-13,15H2,1H3.
What are the key properties of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol has a molecular weight of 382.89 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 56741579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).