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

C16H27N3O — CID 72935923

IUPAC(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCN(C)c1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cn1
InChIInChI=1S/C16H27N3O/c1-15(2)12-19(9-8-16(15,3)20)11-13-6-7-14(17-10-13)18(4)5/h6-7,10,20H,8-9,11-12H2,1-5H3/t16-/m0/s1
InChIKeyMYSSTCZFLALXMT-INIZCTEOSA-N
MW277.41 g/mol
LogP2.13
Rot. Bonds3

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

(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol (PubChem CID 72935923) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
PubChem CID72935923
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCN(C)c1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cn1
InChIInChI=1S/C16H27N3O/c1-15(2)12-19(9-8-16(15,3)20)11-13-6-7-14(17-10-13)18(4)5/h6-7,10,20H,8-9,11-12H2,1-5H3/t16-/m0/s1
InChIKeyMYSSTCZFLALXMT-INIZCTEOSA-N
XLogP2.13
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol (CID 72935923) is (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol is CN(C)c1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cn1.
What is the InChIKey of (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is MYSSTCZFLALXMT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2)12-19(9-8-16(15,3)20)11-13-6-7-14(17-10-13)18(4)5/h6-7,10,20H,8-9,11-12H2,1-5H3/t16-/m0/s1.
What are the key properties of (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 72935923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).