1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine

C20H31NO3 — CID 96558685

IUPAC1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
SMILESCOc1cccc([C@H](C)N2CCC(OC[C@H]3CCCCO3)CC2)c1
InChIInChI=1S/C20H31NO3/c1-16(17-6-5-8-19(14-17)22-2)21-11-9-18(10-12-21)24-15-20-7-3-4-13-23-20/h5-6,8,14,16,18,20H,3-4,7,9-13,15H2,1-2H3/t16-,20+/m0/s1
InChIKeyQVRXCZLSNFYLMN-OXJNMPFZSA-N
MW333.47 g/mol
LogP3.81
Rot. Bonds6

About 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine

1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine (PubChem CID 96558685) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine.

Molecular Properties

Compound Name1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
PubChem CID96558685
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
SMILESCOc1cccc([C@H](C)N2CCC(OC[C@H]3CCCCO3)CC2)c1
InChIInChI=1S/C20H31NO3/c1-16(17-6-5-8-19(14-17)22-2)21-11-9-18(10-12-21)24-15-20-7-3-4-13-23-20/h5-6,8,14,16,18,20H,3-4,7,9-13,15H2,1-2H3/t16-,20+/m0/s1
InChIKeyQVRXCZLSNFYLMN-OXJNMPFZSA-N
XLogP3.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine with MolForge

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Related Compounds

N-ethyl-N'-[2-(3-methoxyphenoxy)propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447551
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
CID 124609824
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124623738
N-ethyl-N'-[3-(3-methoxyphenyl)propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450300
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 19979366
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106494105
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945
N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 71866104

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The IUPAC name of 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine (CID 96558685) is 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine.
What is the SMILES notation for 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The canonical SMILES for 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine is COc1cccc([C@H](C)N2CCC(OC[C@H]3CCCCO3)CC2)c1.
What is the InChIKey of 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The InChIKey is QVRXCZLSNFYLMN-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H31NO3/c1-16(17-6-5-8-19(14-17)22-2)21-11-9-18(10-12-21)24-15-20-7-3-4-13-23-20/h5-6,8,14,16,18,20H,3-4,7,9-13,15H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine has a molecular weight of 333.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine is sourced from PubChem (CID 96558685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).