(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine

C16H25NO3 — CID 86321802

IUPAC(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
SMILESCOc1cc(COCC[C@H]2CCCNC2)cc(OC)c1
InChIInChI=1S/C16H25NO3/c1-18-15-8-14(9-16(10-15)19-2)12-20-7-5-13-4-3-6-17-11-13/h8-10,13,17H,3-7,11-12H2,1-2H3/t13-/m1/s1
InChIKeyMCZAHWJMGYRWLB-CYBMUJFWSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds7

About (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine

(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine (PubChem CID 86321802) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
PubChem CID86321802
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
SMILESCOc1cc(COCC[C@H]2CCCNC2)cc(OC)c1
InChIInChI=1S/C16H25NO3/c1-18-15-8-14(9-16(10-15)19-2)12-20-7-5-13-4-3-6-17-11-13/h8-10,13,17H,3-7,11-12H2,1-2H3/t13-/m1/s1
InChIKeyMCZAHWJMGYRWLB-CYBMUJFWSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine
CID 114796045
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119929930
4-methoxy-3,5-dimethyl-2-(2-piperidin-3-ylethoxymethyl)pyridine
CID 62357177

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine?
The IUPAC name of (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine (CID 86321802) is (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine is COc1cc(COCC[C@H]2CCCNC2)cc(OC)c1.
What is the InChIKey of (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine?
The InChIKey is MCZAHWJMGYRWLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-15-8-14(9-16(10-15)19-2)12-20-7-5-13-4-3-6-17-11-13/h8-10,13,17H,3-7,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine?
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine has a molecular weight of 279.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 86321802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).