(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine

C11H18N2O — CID 97162337

IUPAC(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
SMILESC[C@H](O[C@@H]1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-9(11-5-3-7-13-11)14-10-4-2-6-12-8-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3/t9-,10+/m0/s1
InChIKeyRFTQLCODCMIWRS-VHSXEESVSA-N
MW194.28 g/mol
LogP1.84
Rot. Bonds3

About (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine

(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine (PubChem CID 97162337) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
PubChem CID97162337
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
SMILESC[C@H](O[C@@H]1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-9(11-5-3-7-13-11)14-10-4-2-6-12-8-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3/t9-,10+/m0/s1
InChIKeyRFTQLCODCMIWRS-VHSXEESVSA-N
XLogP1.84
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(1S)-1-phenylethoxy]piperidine
CID 129369907
3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
CID 71638020
2-[1-[(3R)-piperidin-3-yl]oxyethyl]pyridine;hydrochloride
CID 71637869
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
3-benzhydryloxypiperidine
CID 2762417
(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
CID 71637497
piperidin-3-yl 2-methylpropanoate
CID 53409773
(3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride
CID 71637903
3-(2-iodophenoxy)piperidine
CID 56831165
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406
(3R)-3-phenoxypiperidine
CID 42553363
(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637660

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
The IUPAC name of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine (CID 97162337) is (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine.
What is the SMILES notation for (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
The canonical SMILES for (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine is C[C@H](O[C@@H]1CCCNC1)c1ccc[nH]1.
What is the InChIKey of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
The InChIKey is RFTQLCODCMIWRS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(11-5-3-7-13-11)14-10-4-2-6-12-8-10/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine?
(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine is sourced from PubChem (CID 97162337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).