(3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol

C14H22FN3O — CID 164926578

IUPAC(3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol
SMILESCc1ccc(N2CC[C@H](F)[C@@H](O)C2)c(CN(C)C)n1
InChIInChI=1S/C14H22FN3O/c1-10-4-5-13(12(16-10)8-17(2)3)18-7-6-11(15)14(19)9-18/h4-5,11,14,19H,6-9H2,1-3H3/t11-,14-/m0/s1
InChIKeyOUJUYWDHCIDLRS-FZMZJTMJSA-N
MW267.35 g/mol
LogP1.36
Rot. Bonds3

About (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol

(3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol (PubChem CID 164926578) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol
PubChem CID164926578
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name(3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol
SMILESCc1ccc(N2CC[C@H](F)[C@@H](O)C2)c(CN(C)C)n1
InChIInChI=1S/C14H22FN3O/c1-10-4-5-13(12(16-10)8-17(2)3)18-7-6-11(15)14(19)9-18/h4-5,11,14,19H,6-9H2,1-3H3/t11-,14-/m0/s1
InChIKeyOUJUYWDHCIDLRS-FZMZJTMJSA-N
XLogP1.36
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.36
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-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol?
The IUPAC name of (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol (CID 164926578) is (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol is Cc1ccc(N2CC[C@H](F)[C@@H](O)C2)c(CN(C)C)n1.
What is the InChIKey of (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol?
The InChIKey is OUJUYWDHCIDLRS-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10-4-5-13(12(16-10)8-17(2)3)18-7-6-11(15)14(19)9-18/h4-5,11,14,19H,6-9H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol?
(3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol has a molecular weight of 267.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[2-[(dimethylamino)methyl]-6-methyl-3-pyridinyl]-4-fluoropiperidin-3-ol is sourced from PubChem (CID 164926578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).