(3R,5S)-1-pentan-2-ylpiperidine-3,5-diol

C10H21NO2 — CID 130627833

IUPAC(3R,5S)-1-pentan-2-ylpiperidine-3,5-diol
SMILESCCCC(C)N1C[C@H](O)C[C@H](O)C1
InChIInChI=1S/C10H21NO2/c1-3-4-8(2)11-6-9(12)5-10(13)7-11/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10+
InChIKeyAZTLWVMNBPDIRV-PBINXNQUSA-N
MW187.28 g/mol
LogP0.60
Rot. Bonds3

About (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol

(3R,5S)-1-pentan-2-ylpiperidine-3,5-diol (PubChem CID 130627833) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol.

Molecular Properties

Compound Name(3R,5S)-1-pentan-2-ylpiperidine-3,5-diol
PubChem CID130627833
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3R,5S)-1-pentan-2-ylpiperidine-3,5-diol
SMILESCCCC(C)N1C[C@H](O)C[C@H](O)C1
InChIInChI=1S/C10H21NO2/c1-3-4-8(2)11-6-9(12)5-10(13)7-11/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10+
InChIKeyAZTLWVMNBPDIRV-PBINXNQUSA-N
XLogP0.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Piperidinol, 1-methyl-
CID 98016
1-Ethyl-3-piperidinol
CID 114524
2-(Dimethylaminomethyl)-3-hydroxy-1-(2-hydroxyethyl)piperidine
CID 259090
1-(2-Hydroxyethyl)piperidin-3-ol
CID 12281023
(2R,3S,5R,6S)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,5-diol
CID 72204015
(2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,5-diol
CID 72204019
1-Butylpiperidin-3-ol
CID 98962
N-Methyl-1,5-dideoxy-1,5-imino-L-fucitol
CID 452005
(2R,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 15947116
(2R,3R,4R,5S)-1-butyl-2-methylpiperidine-3,4,5-triol
CID 44456814
(2S,3S,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 70683132
(2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 70683133

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol?
The IUPAC name of (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol (CID 130627833) is (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol.
What is the SMILES notation for (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol?
The canonical SMILES for (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol is CCCC(C)N1C[C@H](O)C[C@H](O)C1.
What is the InChIKey of (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol?
The InChIKey is AZTLWVMNBPDIRV-PBINXNQUSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-8(2)11-6-9(12)5-10(13)7-11/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10+.
What are the key properties of (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol?
(3R,5S)-1-pentan-2-ylpiperidine-3,5-diol has a molecular weight of 187.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-pentan-2-ylpiperidine-3,5-diol is sourced from PubChem (CID 130627833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).