(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol

C20H26N2O2 — CID 99955881

IUPAC(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
SMILESCOc1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N2O2/c1-24-20-8-7-17(14-21-20)15-22-11-9-18(10-12-22)19(23)13-16-5-3-2-4-6-16/h2-8,14,18-19,23H,9-13,15H2,1H3/t19-/m1/s1
InChIKeyZVVQHWXXATUIRI-LJQANCHMSA-N
MW326.44 g/mol
LogP2.91
Rot. Bonds6

About (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol

(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol (PubChem CID 99955881) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
PubChem CID99955881
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
SMILESCOc1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N2O2/c1-24-20-8-7-17(14-21-20)15-22-11-9-18(10-12-22)19(23)13-16-5-3-2-4-6-16/h2-8,14,18-19,23H,9-13,15H2,1H3/t19-/m1/s1
InChIKeyZVVQHWXXATUIRI-LJQANCHMSA-N
XLogP2.91
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
CID 114937568
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50950341
(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 95885516
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
CID 28735300
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
4-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95888868

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol?
The IUPAC name of (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol (CID 99955881) is (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol is COc1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cn1.
What is the InChIKey of (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol?
The InChIKey is ZVVQHWXXATUIRI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-24-20-8-7-17(14-21-20)15-22-11-9-18(10-12-22)19(23)13-16-5-3-2-4-6-16/h2-8,14,18-19,23H,9-13,15H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol?
(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol has a molecular weight of 326.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 99955881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).