(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol

C21H29N3O2 — CID 28925767

IUPAC(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
SMILESCN1CCN([C@@H]2CCN(Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1
InChIInChI=1S/C21H29N3O2/c1-22-9-11-24(12-10-22)19-7-8-23(16-20(19)25)15-17-4-2-5-18(14-17)21-6-3-13-26-21/h2-6,13-14,19-20,25H,7-12,15-16H2,1H3/t19-,20-/m1/s1
InChIKeyWCDWKOVHSIPCPD-WOJBJXKFSA-N
MW355.48 g/mol
LogP2.13
Rot. Bonds4

About (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol

(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol (PubChem CID 28925767) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
PubChem CID28925767
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
SMILESCN1CCN([C@@H]2CCN(Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1
InChIInChI=1S/C21H29N3O2/c1-22-9-11-24(12-10-22)19-7-8-23(16-20(19)25)15-17-4-2-5-18(14-17)21-6-3-13-26-21/h2-6,13-14,19-20,25H,7-12,15-16H2,1H3/t19-,20-/m1/s1
InChIKeyWCDWKOVHSIPCPD-WOJBJXKFSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 28783299
(3R,4R)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 29211765
(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 30675368
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
(3R,4R)-1-[(5-chlorothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 56853912
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29085357
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 45252313
1-[[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]methyl]-4-methylpiperazine
CID 77091017
N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26322158
(3R,4R)-1-[(3-bromophenyl)methyl]-4-(4-phenylpiperidin-1-yl)piperidin-3-ol
CID 11743349
(3R,4R)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 26329721

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol (CID 28925767) is (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol is CN1CCN([C@@H]2CCN(Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The InChIKey is WCDWKOVHSIPCPD-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22-9-11-24(12-10-22)19-7-8-23(16-20(19)25)15-17-4-2-5-18(14-17)21-6-3-13-26-21/h2-6,13-14,19-20,25H,7-12,15-16H2,1H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol has a molecular weight of 355.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol is sourced from PubChem (CID 28925767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).