(3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol

C16H19NO — CID 50955833

IUPAC(3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol
SMILESCN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C16H19NO/c1-17-9-8-15(16(18)11-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18H,8-9,11H2,1H3/t15-,16+/m0/s1
InChIKeyVGGXXEAYHHSUTP-JKSUJKDBSA-N
MW241.33 g/mol
LogP2.62
Rot. Bonds1

About (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol

(3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol (PubChem CID 50955833) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol
PubChem CID50955833
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol
SMILESCN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C16H19NO/c1-17-9-8-15(16(18)11-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18H,8-9,11H2,1H3/t15-,16+/m0/s1
InChIKeyVGGXXEAYHHSUTP-JKSUJKDBSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol?
The IUPAC name of (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol (CID 50955833) is (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol is CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1.
What is the InChIKey of (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol?
The InChIKey is VGGXXEAYHHSUTP-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H19NO/c1-17-9-8-15(16(18)11-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-16,18H,8-9,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol?
(3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol has a molecular weight of 241.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-methyl-4-naphthalen-2-ylpiperidin-3-ol is sourced from PubChem (CID 50955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).