(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol

C14H25NO2 — CID 54024398

IUPAC(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol
SMILESCOC=CC[C@H]1[C@@H](O)CC[C@@H]1N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-17-11-5-6-12-13(7-8-14(12)16)15-9-3-2-4-10-15/h5,11-14,16H,2-4,6-10H2,1H3/t12-,13+,14+/m1/s1
InChIKeyLBDVHWDAYKJRRU-RDBSUJKOSA-N
MW239.36 g/mol
LogP2.16
Rot. Bonds4

About (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol

(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol (PubChem CID 54024398) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol
PubChem CID54024398
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol
SMILESCOC=CC[C@H]1[C@@H](O)CC[C@@H]1N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-17-11-5-6-12-13(7-8-14(12)16)15-9-3-2-4-10-15/h5,11-14,16H,2-4,6-10H2,1H3/t12-,13+,14+/m1/s1
InChIKeyLBDVHWDAYKJRRU-RDBSUJKOSA-N
XLogP2.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol?
The IUPAC name of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol (CID 54024398) is (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol is COC=CC[C@H]1[C@@H](O)CC[C@@H]1N1CCCCC1.
What is the InChIKey of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol?
The InChIKey is LBDVHWDAYKJRRU-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H25NO2/c1-17-11-5-6-12-13(7-8-14(12)16)15-9-3-2-4-10-15/h5,11-14,16H,2-4,6-10H2,1H3/t12-,13+,14+/m1/s1.
What are the key properties of (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol?
(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-piperidin-1-ylcyclopentan-1-ol is sourced from PubChem (CID 54024398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).