(2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol

C12H23NO3 — CID 118986940

IUPAC(2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCCC1
InChIInChI=1S/C12H23NO3/c14-8-10-12(16)11(15)5-6-13(10)7-9-3-1-2-4-9/h9-12,14-16H,1-8H2/t10-,11-,12-/m1/s1
InChIKeyYMJQGMYJUACLOH-IJLUTSLNSA-N
MW229.32 g/mol
LogP-0.04
Rot. Bonds3

About (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol

(2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 118986940) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol
PubChem CID118986940
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCCC1
InChIInChI=1S/C12H23NO3/c14-8-10-12(16)11(15)5-6-13(10)7-9-3-1-2-4-9/h9-12,14-16H,1-8H2/t10-,11-,12-/m1/s1
InChIKeyYMJQGMYJUACLOH-IJLUTSLNSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol (CID 118986940) is (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCCC1.
What is the InChIKey of (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is YMJQGMYJUACLOH-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H23NO3/c14-8-10-12(16)11(15)5-6-13(10)7-9-3-1-2-4-9/h9-12,14-16H,1-8H2/t10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol?
(2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 229.32 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 118986940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).