1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine

C18H28N2O — CID 60978832

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCOc1ccc(CCN2CCCC(C3CCCN3)C2)cc1
InChIInChI=1S/C18H28N2O/c1-21-17-8-6-15(7-9-17)10-13-20-12-3-4-16(14-20)18-5-2-11-19-18/h6-9,16,18-19H,2-5,10-14H2,1H3
InChIKeyZRSMBCNHYOGYIR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.70
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine

1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 60978832) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID60978832
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCOc1ccc(CCN2CCCC(C3CCCN3)C2)cc1
InChIInChI=1S/C18H28N2O/c1-21-17-8-6-15(7-9-17)10-13-20-12-3-4-16(14-20)18-5-2-11-19-18/h6-9,16,18-19H,2-5,10-14H2,1H3
InChIKeyZRSMBCNHYOGYIR-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane
CID 64940736
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
(4aS,8aR)-4-[2-(4-methoxyphenyl)ethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675884
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
(4aS,7aS)-6-(2-phenylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 104870048
4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 82886408
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 65476831
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-1,4-diazepane
CID 65442279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine (CID 60978832) is 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine is COc1ccc(CCN2CCCC(C3CCCN3)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is ZRSMBCNHYOGYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-17-8-6-15(7-9-17)10-13-20-12-3-4-16(14-20)18-5-2-11-19-18/h6-9,16,18-19H,2-5,10-14H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 288.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60978832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).