(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine

C17H27NO2 — CID 2182296

IUPAC(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
SMILESCCCOc1ccc(OCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-3-12-19-16-6-8-17(9-7-16)20-13-11-18-10-4-5-15(2)14-18/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m0/s1
InChIKeyTXXWLOZCYUANIW-HNNXBMFYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds7

About (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine

(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine (PubChem CID 2182296) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
PubChem CID2182296
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
SMILESCCCOc1ccc(OCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-3-12-19-16-6-8-17(9-7-16)20-13-11-18-10-4-5-15(2)14-18/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m0/s1
InChIKeyTXXWLOZCYUANIW-HNNXBMFYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine
CID 77091167
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 100739829
4-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7379881
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine (CID 2182296) is (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine is CCCOc1ccc(OCCN2CCC[C@H](C)C2)cc1.
What is the InChIKey of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine?
The InChIKey is TXXWLOZCYUANIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-12-19-16-6-8-17(9-7-16)20-13-11-18-10-4-5-15(2)14-18/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine?
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 2182296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).