1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine

C23H31NO — CID 6444474

IUPAC1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine
SMILESC/C=C/CC(COCCN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C23H31NO/c1-2-3-10-21(19-25-18-17-24-15-7-4-8-16-24)23-14-9-12-20-11-5-6-13-22(20)23/h2-3,5-6,9,11-14,21H,4,7-8,10,15-19H2,1H3/b3-2+
InChIKeyUAOVJWDDRYGJBH-NSCUHMNNSA-N
MW337.51 g/mol
LogP5.39
Rot. Bonds8

About 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine

1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine (PubChem CID 6444474) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine
PubChem CID6444474
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine
SMILESC/C=C/CC(COCCN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C23H31NO/c1-2-3-10-21(19-25-18-17-24-15-7-4-8-16-24)23-14-9-12-20-11-5-6-13-22(20)23/h2-3,5-6,9,11-14,21H,4,7-8,10,15-19H2,1H3/b3-2+
InChIKeyUAOVJWDDRYGJBH-NSCUHMNNSA-N
XLogP5.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
1-[2-[4-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]phenoxy]ethyl]pyrrolidine
CID 25107721
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
ethyl 2-naphthalen-1-yl-8-piperidin-1-yloctanoate
CID 21245878
(2-naphthalen-1-yl-4-piperidin-1-ylbutyl) 4-chlorobenzoate;hydrochloride
CID 3088877
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
CID 18593135
1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride
CID 138397159
1-[2-[4-[(4-methoxyphenyl)-naphthalen-1-ylmethyl]-3-methylphenoxy]ethyl]pyrrolidine
CID 10433978
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine (CID 6444474) is 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine is C/C=C/CC(COCCN1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine?
The InChIKey is UAOVJWDDRYGJBH-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-3-10-21(19-25-18-17-24-15-7-4-8-16-24)23-14-9-12-20-11-5-6-13-22(20)23/h2-3,5-6,9,11-14,21H,4,7-8,10,15-19H2,1H3/b3-2+.
What are the key properties of 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine?
1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine has a molecular weight of 337.51 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine is sourced from PubChem (CID 6444474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).