(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol

C15H28N2O2 — CID 131903256

IUPAC(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(C2CCCCCC2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H28N2O2/c18-15-12-17(13-5-3-1-2-4-6-13)11-14(15)16-7-9-19-10-8-16/h13-15,18H,1-12H2/t14-,15-/m0/s1
InChIKeySABHCOUCXYAKKU-GJZGRUSLSA-N
MW268.40 g/mol
LogP1.09
Rot. Bonds2

About (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol

(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 131903256) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID131903256
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(C2CCCCCC2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H28N2O2/c18-15-12-17(13-5-3-1-2-4-6-13)11-14(15)16-7-9-19-10-8-16/h13-15,18H,1-12H2/t14-,15-/m0/s1
InChIKeySABHCOUCXYAKKU-GJZGRUSLSA-N
XLogP1.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol (CID 131903256) is (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol is O[C@H]1CN(C2CCCCCC2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is SABHCOUCXYAKKU-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-15-12-17(13-5-3-1-2-4-6-13)11-14(15)16-7-9-19-10-8-16/h13-15,18H,1-12H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol?
(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 268.40 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 131903256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).