1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine

C16H25NO — CID 141183256

IUPAC1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
SMILESC[C@H](COCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-15(16-8-4-2-5-9-16)14-18-13-12-17-10-6-3-7-11-17/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3/t15-/m1/s1
InChIKeyLXVOQUCLRVANHD-OAHLLOKOSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds6

About 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine

1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine (PubChem CID 141183256) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
PubChem CID141183256
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
SMILESC[C@H](COCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-15(16-8-4-2-5-9-16)14-18-13-12-17-10-6-3-7-11-17/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3/t15-/m1/s1
InChIKeyLXVOQUCLRVANHD-OAHLLOKOSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride
CID 138397159
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
N-[2-phenyl-2-(2-piperidin-1-ylethoxy)ethyl]propan-2-amine
CID 62458613
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
CID 58513850
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
CID 21253259
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine (CID 141183256) is 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine is C[C@H](COCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine?
The InChIKey is LXVOQUCLRVANHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(16-8-4-2-5-9-16)14-18-13-12-17-10-6-3-7-11-17/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine?
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine is sourced from PubChem (CID 141183256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).