(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol

C18H22N2O2 — CID 163309012

IUPAC(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
SMILESCOc1cc(CN2CC[C@@H](c3ccccc3)[C@H](O)C2)ccn1
InChIInChI=1S/C18H22N2O2/c1-22-18-11-14(7-9-19-18)12-20-10-8-16(17(21)13-20)15-5-3-2-4-6-15/h2-7,9,11,16-17,21H,8,10,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyUGUBMNGMPIMZMM-DLBZAZTESA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds4

About (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol

(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol (PubChem CID 163309012) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
PubChem CID163309012
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
SMILESCOc1cc(CN2CC[C@@H](c3ccccc3)[C@H](O)C2)ccn1
InChIInChI=1S/C18H22N2O2/c1-22-18-11-14(7-9-19-18)12-20-10-8-16(17(21)13-20)15-5-3-2-4-6-15/h2-7,9,11,16-17,21H,8,10,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyUGUBMNGMPIMZMM-DLBZAZTESA-N
XLogP2.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
The IUPAC name of (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol (CID 163309012) is (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol is COc1cc(CN2CC[C@@H](c3ccccc3)[C@H](O)C2)ccn1.
What is the InChIKey of (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
The InChIKey is UGUBMNGMPIMZMM-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-18-11-14(7-9-19-18)12-20-10-8-16(17(21)13-20)15-5-3-2-4-6-15/h2-7,9,11,16-17,21H,8,10,12-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol has a molecular weight of 298.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol is sourced from PubChem (CID 163309012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).