1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine

C20H29NO — CID 110185675

IUPAC1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine
SMILESCc1ccccc1C(OCCN1CCCCC1)=C1CCCC1
InChIInChI=1S/C20H29NO/c1-17-9-3-6-12-19(17)20(18-10-4-5-11-18)22-16-15-21-13-7-2-8-14-21/h3,6,9,12H,2,4-5,7-8,10-11,13-16H2,1H3
InChIKeyQOEJLSHJXNVVBX-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine

1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine (PubChem CID 110185675) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine
PubChem CID110185675
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine
SMILESCc1ccccc1C(OCCN1CCCCC1)=C1CCCC1
InChIInChI=1S/C20H29NO/c1-17-9-3-6-12-19(17)20(18-10-4-5-11-18)22-16-15-21-13-7-2-8-14-21/h3,6,9,12H,2,4-5,7-8,10-11,13-16H2,1H3
InChIKeyQOEJLSHJXNVVBX-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517
2-(azepan-1-yl)ethyl 3,3-diphenylpropanoate;oxalic acid
CID 54582119
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine (CID 110185675) is 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine is Cc1ccccc1C(OCCN1CCCCC1)=C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine?
The InChIKey is QOEJLSHJXNVVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-17-9-3-6-12-19(17)20(18-10-4-5-11-18)22-16-15-21-13-7-2-8-14-21/h3,6,9,12H,2,4-5,7-8,10-11,13-16H2,1H3.
What are the key properties of 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine?
1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine has a molecular weight of 299.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentylidene-(2-methylphenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 110185675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).