[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol

C20H27N3O2 — CID 97307269

IUPAC[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol
SMILESCOc1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1
InChIInChI=1S/C20H27N3O2/c1-25-20-8-7-17(12-22-20)11-21-19-14-23(10-9-18(19)15-24)13-16-5-3-2-4-6-16/h2-8,12,18-19,21,24H,9-11,13-15H2,1H3/t18-,19+/m1/s1
InChIKeyBIRVMCSEYGARKU-MOPGFXCFSA-N
MW341.45 g/mol
LogP2.06
Rot. Bonds7

About [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol

[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol (PubChem CID 97307269) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol
PubChem CID97307269
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol
SMILESCOc1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1
InChIInChI=1S/C20H27N3O2/c1-25-20-8-7-17(12-22-20)11-21-19-14-23(10-9-18(19)15-24)13-16-5-3-2-4-6-16/h2-8,12,18-19,21,24H,9-11,13-15H2,1H3/t18-,19+/m1/s1
InChIKeyBIRVMCSEYGARKU-MOPGFXCFSA-N
XLogP2.06
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol with MolForge

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Related Compounds

[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
(3R,4R)-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124742358
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
N-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363784
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-propylpiperidin-4-amine
CID 62992462
(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
CID 99955881
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol?
The IUPAC name of [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol (CID 97307269) is [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol?
The canonical SMILES for [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol is COc1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1.
What is the InChIKey of [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol?
The InChIKey is BIRVMCSEYGARKU-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-25-20-8-7-17(12-22-20)11-21-19-14-23(10-9-18(19)15-24)13-16-5-3-2-4-6-16/h2-8,12,18-19,21,24H,9-11,13-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol?
[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol has a molecular weight of 341.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol is sourced from PubChem (CID 97307269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).