(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol

C10H19NO — CID 15507370

IUPAC(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol
SMILESC/C=C/[C@@H]1C[C@@H](O)[C@@H](C)[C@H](C)N1
InChIInChI=1S/C10H19NO/c1-4-5-9-6-10(12)7(2)8(3)11-9/h4-5,7-12H,6H2,1-3H3/b5-4+/t7-,8-,9+,10+/m0/s1
InChIKeyZVHUJIRVDOGJHH-WPNFBXIZSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds1

About (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol

(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol (PubChem CID 15507370) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol
PubChem CID15507370
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol
SMILESC/C=C/[C@@H]1C[C@@H](O)[C@@H](C)[C@H](C)N1
InChIInChI=1S/C10H19NO/c1-4-5-9-6-10(12)7(2)8(3)11-9/h4-5,7-12H,6H2,1-3H3/b5-4+/t7-,8-,9+,10+/m0/s1
InChIKeyZVHUJIRVDOGJHH-WPNFBXIZSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol?
The IUPAC name of (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol (CID 15507370) is (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol.
What is the SMILES notation for (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol?
The canonical SMILES for (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol is C/C=C/[C@@H]1C[C@@H](O)[C@@H](C)[C@H](C)N1.
What is the InChIKey of (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol?
The InChIKey is ZVHUJIRVDOGJHH-WPNFBXIZSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-9-6-10(12)7(2)8(3)11-9/h4-5,7-12H,6H2,1-3H3/b5-4+/t7-,8-,9+,10+/m0/s1.
What are the key properties of (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol?
(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol is sourced from PubChem (CID 15507370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).