(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol

C11H17NO2 — CID 71633408

IUPAC(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
SMILESCC(c1ccco1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H17NO2/c1-9(11-5-3-7-14-11)12-6-2-4-10(13)8-12/h3,5,7,9-10,13H,2,4,6,8H2,1H3/t9?,10-/m0/s1
InChIKeyGMRAYWLIOPZGFY-AXDSSHIGSA-N
MW195.26 g/mol
LogP1.80
Rot. Bonds2

About (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol

(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol (PubChem CID 71633408) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
PubChem CID71633408
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
SMILESCC(c1ccco1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H17NO2/c1-9(11-5-3-7-14-11)12-6-2-4-10(13)8-12/h3,5,7,9-10,13H,2,4,6,8H2,1H3/t9?,10-/m0/s1
InChIKeyGMRAYWLIOPZGFY-AXDSSHIGSA-N
XLogP1.80
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-amine
CID 43535712
5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083924
tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate
CID 129460914
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
1-[1-[1-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512099
N-ethyl-1-[1-(furan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 54975340
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455
4-[1-(furan-2-yl)ethyl]thiomorpholine
CID 130749822
2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065324

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol (CID 71633408) is (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol is CC(c1ccco1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol?
The InChIKey is GMRAYWLIOPZGFY-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(11-5-3-7-14-11)12-6-2-4-10(13)8-12/h3,5,7,9-10,13H,2,4,6,8H2,1H3/t9?,10-/m0/s1.
What are the key properties of (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol?
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol has a molecular weight of 195.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol is sourced from PubChem (CID 71633408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).