1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine

C21H32N2O — CID 175321758

IUPAC1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine
SMILESCO[C@H]1CCN(CC2CCN(c3ccccc3C3CCC3)CC2)C1
InChIInChI=1S/C21H32N2O/c1-24-19-11-12-22(16-19)15-17-9-13-23(14-10-17)21-8-3-2-7-20(21)18-5-4-6-18/h2-3,7-8,17-19H,4-6,9-16H2,1H3/t19-/m0/s1
InChIKeyWETCGVNBDAWDOD-IBGZPJMESA-N
MW328.50 g/mol
LogP3.89
Rot. Bonds5

About 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine

1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine (PubChem CID 175321758) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine
PubChem CID175321758
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine
SMILESCO[C@H]1CCN(CC2CCN(c3ccccc3C3CCC3)CC2)C1
InChIInChI=1S/C21H32N2O/c1-24-19-11-12-22(16-19)15-17-9-13-23(14-10-17)21-8-3-2-7-20(21)18-5-4-6-18/h2-3,7-8,17-19H,4-6,9-16H2,1H3/t19-/m0/s1
InChIKeyWETCGVNBDAWDOD-IBGZPJMESA-N
XLogP3.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine (CID 175321758) is 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine is CO[C@H]1CCN(CC2CCN(c3ccccc3C3CCC3)CC2)C1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine?
The InChIKey is WETCGVNBDAWDOD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N2O/c1-24-19-11-12-22(16-19)15-17-9-13-23(14-10-17)21-8-3-2-7-20(21)18-5-4-6-18/h2-3,7-8,17-19H,4-6,9-16H2,1H3/t19-/m0/s1.
What are the key properties of 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine?
1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine has a molecular weight of 328.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 175321758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).