2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol

C15H29NO3 — CID 114339580

IUPAC2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCOCC(O)CN1CCCC1C1CCCCC1O
InChIInChI=1S/C15H29NO3/c1-2-19-11-12(17)10-16-9-5-7-14(16)13-6-3-4-8-15(13)18/h12-15,17-18H,2-11H2,1H3
InChIKeyUETXNVWBWMCECB-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.40
Rot. Bonds6

About 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339580) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339580
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCOCC(O)CN1CCCC1C1CCCCC1O
InChIInChI=1S/C15H29NO3/c1-2-19-11-12(17)10-16-9-5-7-14(16)13-6-3-4-8-15(13)18/h12-15,17-18H,2-11H2,1H3
InChIKeyUETXNVWBWMCECB-UHFFFAOYSA-N
XLogP1.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-hydroxy-3-propan-2-yloxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339076
2-[1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 103161293
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544470
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 124856114
2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339118
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
CID 106460190
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339580) is 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol is CCOCC(O)CN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is UETXNVWBWMCECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-19-11-12(17)10-16-9-5-7-14(16)13-6-3-4-8-15(13)18/h12-15,17-18H,2-11H2,1H3.
What are the key properties of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).