trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol

C12H23NO3 — CID 126635644

IUPACtrans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESOCC1(CO)CC[C@@H](N2CCCC2)[C@H](O)C1
InChIInChI=1S/C12H23NO3/c14-8-12(9-15)4-3-10(11(16)7-12)13-5-1-2-6-13/h10-11,14-16H,1-9H2/t10-,11-/m1/s1
InChIKeyAPJUVINHPZPJPT-GHMZBOCLSA-N
MW229.32 g/mol
LogP-0.03
Rot. Bonds3

About trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol

trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 126635644) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID126635644
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametrans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESOCC1(CO)CC[C@@H](N2CCCC2)[C@H](O)C1
InChIInChI=1S/C12H23NO3/c14-8-12(9-15)4-3-10(11(16)7-12)13-5-1-2-6-13/h10-11,14-16H,1-9H2/t10-,11-/m1/s1
InChIKeyAPJUVINHPZPJPT-GHMZBOCLSA-N
XLogP-0.03
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 59200793
5,5-Bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 123471578
(2,5-Dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol
CID 162468760
[1-[[1-(Hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 62265472

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol (CID 126635644) is trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol is OCC1(CO)CC[C@@H](N2CCCC2)[C@H](O)C1.
What is the InChIKey of trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is APJUVINHPZPJPT-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO3/c14-8-12(9-15)4-3-10(11(16)7-12)13-5-1-2-6-13/h10-11,14-16H,1-9H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol?
trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 229.32 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-5,5-bis(hydroxymethyl)-2-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 126635644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).