[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol

C16H25NO2 — CID 68829570

IUPAC[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
SMILESOC[C@]1(CCOCCc2ccccc2)CCCNC1
InChIInChI=1S/C16H25NO2/c18-14-16(8-4-10-17-13-16)9-12-19-11-7-15-5-2-1-3-6-15/h1-3,5-6,17-18H,4,7-14H2/t16-/m0/s1
InChIKeyNRFJKQXBKKYYLW-INIZCTEOSA-N
MW263.38 g/mol
LogP2.00
Rot. Bonds7

About [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol

[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol (PubChem CID 68829570) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
PubChem CID68829570
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
SMILESOC[C@]1(CCOCCc2ccccc2)CCCNC1
InChIInChI=1S/C16H25NO2/c18-14-16(8-4-10-17-13-16)9-12-19-11-7-15-5-2-1-3-6-15/h1-3,5-6,17-18H,4,7-14H2/t16-/m0/s1
InChIKeyNRFJKQXBKKYYLW-INIZCTEOSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride
CID 154924786
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
2-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
[3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-yl]methanol
CID 66060294
3-benzyl-3-(fluoromethyl)piperidine
CID 84779719
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
3-benzyl-3-prop-2-enylpiperidine
CID 123751014
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
CID 142666822
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
CID 66059792
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol (CID 68829570) is [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol is OC[C@]1(CCOCCc2ccccc2)CCCNC1.
What is the InChIKey of [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol?
The InChIKey is NRFJKQXBKKYYLW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25NO2/c18-14-16(8-4-10-17-13-16)9-12-19-11-7-15-5-2-1-3-6-15/h1-3,5-6,17-18H,4,7-14H2/t16-/m0/s1.
What are the key properties of [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol?
[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 68829570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).