(3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol

C14H27NO2 — CID 86817888

IUPAC(3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCOCCC1(CN2CC[C@H](O)C2)CCCCC1
InChIInChI=1S/C14H27NO2/c1-17-10-8-14(6-3-2-4-7-14)12-15-9-5-13(16)11-15/h13,16H,2-12H2,1H3/t13-/m0/s1
InChIKeyZUGUOFHJFYWXHW-ZDUSSCGKSA-N
MW241.37 g/mol
LogP2.04
Rot. Bonds5

About (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol

(3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 86817888) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID86817888
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCOCCC1(CN2CC[C@H](O)C2)CCCCC1
InChIInChI=1S/C14H27NO2/c1-17-10-8-14(6-3-2-4-7-14)12-15-9-5-13(16)11-15/h13,16H,2-12H2,1H3/t13-/m0/s1
InChIKeyZUGUOFHJFYWXHW-ZDUSSCGKSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol (CID 86817888) is (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol is COCCC1(CN2CC[C@H](O)C2)CCCCC1.
What is the InChIKey of (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is ZUGUOFHJFYWXHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NO2/c1-17-10-8-14(6-3-2-4-7-14)12-15-9-5-13(16)11-15/h13,16H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
(3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 241.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 86817888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).